Molecule ID: 122164817

IUPAC Name: 2-[(E)-2-quinolin-1-ium-2-ylethenyl]phenol

Description: The molecule is an organic cation resulting from the protonation of the nitrogen of quininib. The major species below pH 4. It is a conjugate acid of a quininib.

SMILES: Oc1ccccc1/C=C/c1ccc2ccccc2[nH+]1

SELFIES: [O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=NH1+1][Ring1][#Branch2]

InChI: InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/p+1/b12-10+

Molecular Properties:
- Polar Surface Area: 34.4 Ų
- LogP: 4.3