Molecule ID: 50909859

IUPAC Name: [4-[2-(4-ethoxycarbonyl-4-phenylpiperidin-1-ium-1-yl)ethyl]phenyl]azanium

Description: The molecule is a piperidinium ion that results from the protonation of both of the nitrogen atoms of anileridine. It is a conjugate acid of an anileridine.

SMILES: CCOC(=O)C1(c2ccccc2)CC[NH+](CCc2ccc([NH3+])cc2)CC1

SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][NH1+1][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][NH3+1][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3/p+2

Molecular Properties:
- Polar Surface Area: 58.4 Ų
- LogP: 3.7