Molecule ID: 11519070

IUPAC Name: diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol

Description: The molecule is a quaternary ammonium ion that is quinuclidine substituted at positions 1 and 4 by 2-(benzyloxy)ethyl and hydroxy(diphenyl)methyl groups respectively. It has a role as a muscarinic antagonist.

SMILES: OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2

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

InChI: InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 4.7