Molecule ID: 2993

IUPAC Name: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine

Description: The molecule is a quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group. It has a role as an antifungal agent, an antineoplastic agent, an antiseptic drug and a mitochondrial NADH:ubiquinone reductase inhibitor.

SMILES: Cc1cc(=[NH2+])c2ccccc2n1CCCCCCCCCCn1c(C)cc(=[NH2+])c2ccccc21

SELFIES: [C][C][=C][C][=Branch1][C][=NH2+1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][C][C][C][C][C][C][C][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=NH2+1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N]

InChI: InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2

Molecular Properties:
- Polar Surface Area: 59.8 Ų
- LogP: 7.3