Molecule ID: 5794484

IUPAC Name: N,N-dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline

Description: The molecule is a pyridinium cation with a methyl substituent at the 1-position and a 4-(dihexadecylamino)styryl substituent at the 4-position. It has a role as a fluorochrome. It is a pyridinium ion and a tertiary amine.

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

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][P][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=Branch1][=C][=C][C][=C][C][=C][N][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][#C]

InChI: InChI=1S/C46H79N2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-48(41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-36-34-44(35-37-46)32-33-45-38-42-47(3)43-39-45/h32-39,42-43H,4-31,40-41H2,1-3H3/q+1

Molecular Properties:
- Polar Surface Area: 7.1 Ų
- LogP: 18.9