Molecule ID: 6957671

IUPAC Name: [5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl-diethylazanium

Description: The molecule is an organic cation obtained by protonation of the tertiary amino group of amodiaquine; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of an amodiaquine.

SMILES: CCN(CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O

SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][Branch2][Ring1][Ring1][N][C][=C][C][=NH1+1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][O]

InChI: InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)/p+1

Molecular Properties:
- Polar Surface Area: 49.6 Ų
- LogP: 3.2