Molecule ID: 1734

IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate

Description: The molecule is a quaternary ammonium salt obtained by formal methylation of the tertiary amino function of 4-diphenylacetoxy-N-methylpiperidine. It has a role as a cholinergic antagonist and a muscarinic antagonist.

SMILES: C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1

SELFIES: [C][N+1][Branch1][C][C][C][C][C][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 4.0