Molecule ID: 11860154

IUPAC Name: (1S,9R)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one

Description: The molecule is the conjugate acid of salutaridine; major species at pH 7.3. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a salutaridine.

SMILES: COC1=C[C@]23CC[NH+](C)[C@H](Cc4ccc(OC)c(O)c42)C3=CC1=O

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

InChI: InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/p+1/t13-,19+/m1/s1

Molecular Properties:
- Polar Surface Area: 60.2 Ų
- LogP: 1.9