Molecule ID: 157225

IUPAC Name: (3S,4S,6S)-3-ethenyl-6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol

Description: The molecule is a cinchona alkaloid. It derives from a quinine and a quinine(1+). It is a conjugate base of a 3-hydroxyquininium.

SMILES: C=C[C@@]1(O)CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12

SELFIES: [C][=C][C@@][Branch1][C][O][C][N][C][C][C@H1][Ring1][#Branch1][C][C@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][=C][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][Ring1][Branch2]

InChI: InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/t13-,18-,19+,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 65.8 Ų
- LogP: 1.8