Molecule ID: 21867154

IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate;bromide

Description: The molecule is a quaternary ammonium salt resulting from the reaction of the amino group of anisotropine with methyl bromide. It has a role as an anti-ulcer drug, a muscarinic antagonist and a parasympatholytic. It is an organic bromide salt and a quaternary ammonium salt.

SMILES: CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C.[Br-]

SELFIES: [C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N+1][Ring1][=Branch1][Branch1][C][C][C].[Br-1]

InChI: InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1

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