Molecule ID: 9910579

IUPAC Name: 4-[9-(dimethylamino)-2,2,4,11,11-pentamethylnaphtho[2,3-g]quinolin-1-ium-1-yl]butanoic acid

Description: The molecule is the cationic form of a fluorescent dye derived from a tetrahydronaphtho[2,3-g]quinoline. It has a role as a fluorochrome. It is an organic heterotetracyclic compound and an organic cation.

SMILES: CC1=CC(C)(C)N(CCCC(=O)O)c2cc3c(cc21)C=C1C=CC(=[N+](C)C)C=C1C3(C)C

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

InChI: InChI=1S/C28H34N2O2/c1-18-17-27(2,3)30(12-8-9-26(31)32)25-16-24-20(14-22(18)25)13-19-10-11-21(29(6)7)15-23(19)28(24,4)5/h10-11,13-17H,8-9,12H2,1-7H3/p+1

Molecular Properties:
- Polar Surface Area: 43.6 Ų
- LogP: 4.0