Molecule ID: 5706753

IUPAC Name: 2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]-1-ethyl-N,N-dimethylquinolin-1-ium-6-amine

Description: The molecule is a cationic C3 cyanine-type compound with 4-(dimethylamino)phenyl and 6-(dimethylamino)-1-ethylquinolinium-2-yl groups at either end. It has a role as a fluorochrome. It is a tertiary amine and a quinolinium ion.

SMILES: CCN1C(=CC=CC=C2C=CC(=[N+](C)C)C=C2)C=Cc2cc(N(C)C)ccc21

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

InChI: InChI=1S/C25H30N3/c1-6-28-23(16-13-21-19-24(27(4)5)17-18-25(21)28)10-8-7-9-20-11-14-22(15-12-20)26(2)3/h7-19H,6H2,1-5H3/q+1

Molecular Properties:
- Polar Surface Area: 10.4 Ų
- LogP: 5.8