Pyridinium, 4-[2-[4-(dibutylamino)phenyl]ethenyl]-1-[3-(triethylammonio)propy...
C30H49N3.2Br
149838-22-2 Copyright (C) 2025 ACS
 34 34  0  0  0  0  0  0  0  0999 V2000
   18.6718    6.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6718    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0067    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348   10.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673   10.7802    0.0000 N   0  3  0  0  0  4  0  0  0  0  0  0
    1.3337   10.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973   12.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    9.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673   13.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    8.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697   10.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022   10.7802    0.0000 N   0  3  0  0  0  4  0  0  0  0  0  0
   12.0033    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 22  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  3  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  CHG  3  15   1  33   1  34  -1
M  END
> <cas.rn>
149838-22-2

> <ca.index.name>
Pyridinium, 4-[2-[4-(dibutylamino)phenyl]ethenyl]-1-[3-(triethylammonio)propyl]-, bromide (1:2)

> <molecular.formula>
C30H49N3.2Br

> <smiles.canonical>
[Br-].C(=CC1=CC=[N+](C=C1)CCC[N+](CC)(CC)CC)C2=CC=C(C=C2)N(CCCC)CCCC

> <molecular.weight>
611.54

$$$$
