Molecule ID: 46878508

IUPAC Name: (4R,7aR,12bS)-9-methoxy-3-methyl-2,3,4,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one

Description: The molecule is the trialkylammonium ion resulting from the protonation of the amino group of neopinone. It is a conjugate acid of a neopinone.

SMILES: COc1ccc2c3c1O[C@H]1C(=O)CC=C4[C@@H](C2)[NH+](C)CC[C@]431

SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C][=Branch1][C][=O][C][C][=C][C@@H1][Branch1][Ring2][C][Ring1][N][NH1+1][Branch1][C][C][C][C][C@][Ring1][Branch2][Ring1][S][Ring1][=N]

InChI: InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12,17H,5,7-9H2,1-2H3/p+1/t12-,17+,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 40.0 Ų
- LogP: 1.7