Molecule ID: 25200639

IUPAC Name: [(1S,9R,12S)-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-yl] acetate

Description: The molecule is the conjugate acid of 7-O-acetylsalutaridinol arising from protonation of the tertiary amino function. It is a conjugate acid of a 7-O-acetylsalutaridinol.

SMILES: COC1=C[C@]23CC[NH+](C)[C@H](Cc4ccc(OC)c(O)c42)C3=C[C@@H]1OC(C)=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@@H1][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O]

InChI: InChI=1S/C21H25NO5/c1-12(23)27-17-10-14-15-9-13-5-6-16(25-3)20(24)19(13)21(14,7-8-22(15)2)11-18(17)26-4/h5-6,10-11,15,17,24H,7-9H2,1-4H3/p+1/t15-,17+,21+/m1/s1

Molecular Properties:
- Polar Surface Area: 69.4 Ų
- LogP: 2.0