Molecule ID: 78435478

IUPAC Name: 4-[(7-chloroquinolin-1-ium-4-yl)amino]pentyl-ethyl-(2-hydroxyethyl)azanium

Description: The molecule is a quinolinium ion obtained by protonation of the quinoline nitrogen and tertiary amino group of the antimalarial drug hydroxychloroquine. 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 hydroxychloroquine.

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

SELFIES: [C][C][N][Branch1][Ring2][C][C][O][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/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)/p+2

Molecular Properties:
- Polar Surface Area: 50.8 Ų
- LogP: 3.8