Molecule ID: 2063311

IUPAC Name: [(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate

Description: The molecule is an organic cation that is the conjugate acid of tropisetron, obtained by protonation of the tertiary amino group. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a tropisetron.

SMILES: CN1[C@@H]2CC[C@H]1CC(OC(=O)C1=C[NH2+]c3ccccc31)C2

SELFIES: [C][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][=C][NH2+1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/p+1/t11-,12+,13?

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 3.8