Molecule ID: 6439243

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

Description: The molecule is an organic iodide salt and a pyridinium salt. It has a role as a fluorochrome. It contains a 4-(4-dihexadecylaminostyryl)-N-methylpyridium.

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

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].[I-1]

InChI: InChI=1S/C46H79N2.HI/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;1H/q+1;/p-1

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