Molecule ID: 24848403

IUPAC Name: 4-[(7-chloroquinolin-1-ium-4-yl)amino]pentyl-diethylazanium

Description: The molecule is a quinolinium ion obtained by protonation of the quinoline nitrogen and tertiary amino group of the antimalarial drug chloroquine. It is the major species at pH 7.3. It is a quinolinium ion and a tertiary ammonium ion. It is a conjugate acid of a chloroquine.

SMILES: CCN(CC)CCCC(C)[NH2+]c1cc[nH+]c2cc(Cl)ccc12

SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][NH2+1][C][=C][C][=NH1+1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1]

InChI: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/p+2

Molecular Properties:
- Polar Surface Area: 30.6 Ų
- LogP: 4.8