Molecule ID: 26601202

IUPAC Name: methyl (1R,2R,5S)-8-methyl-3-oxo-8-azoniabicyclo[3.2.1]octane-2-carboxylate

Description: The molecule is an organic cation that is the conjugate acid of ecgonone methyl ester arising from protonation of the tertiary amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of an ecgonone methyl ester.

SMILES: COC(=O)[C@H]1C(=O)C[C@@H]2CC[C@H]1[NH+]2C

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

InChI: InChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3/p+1/t6-,7+,9+/m0/s1

Molecular Properties:
- Polar Surface Area: 47.8 Ų
- LogP: 0.5