Molecule ID: 6508725

IUPAC Name: 3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium

Description: The molecule is a pyridinium cation with a 3-(triethylammonio)propyl substituent at the 1-position and a 4-(dibutylamino)styryl substituent at the 4-position. It has a role as a fluorochrome. It is a quaternary ammonium ion, a pyridinium ion and a tertiary amine.

SMILES: CCCC[N+](CCCC)=C1C=CC(=CC=C2C=CN(CCC[N+](CC)(CC)CC)C=C2)C=C1

SELFIES: [C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][=C][C][=C][C][=Branch2][Ring1][O][=C][C][=C][C][=C][N][Branch1][#C][C][C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][C][=C][Ring1][S][C][=C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C30H49N3/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5/h14-21,25-26H,6-13,22-24,27H2,1-5H3/q+2

Molecular Properties:
- Polar Surface Area: 7.1 Ų
- LogP: 7.3