(1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-bromophenyl)-2-cyclopentyl-propanoate bromide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-bromophenyl)-2-cyclopentyl-propanoate bromide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-bromophenyl)-2-cyclopentyl-propanoate bromide CAS Name: 2-(3-bromophenyl)-2-cyclopentylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-bromophenyl)-2-cyclopentylpropanoate bromide Traditional Name: 2-(3-bromophenyl)-2-cyclopentyl-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester bromide Formula: C21H31Br2NO2 MolecularWeight: 489.28434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCC1)(C2=CC(=CC=C2)Br)C(=O)OC3CC[N+](CC3)(C)C.[Br-]

Isomeric SMILES

CC(C1CCCC1)(C2=CC(=CC=C2)Br)C(=O)OC3CC[N+](CC3)(C)C.[Br-]

InChI

InChI=1S/C21H31BrNO2.BrH/c1-21(16-7-4-5-8-16,17-9-6-10-18(22)15-17)20(24)25-19-11-13-23(2,3)14-12-19;/h6,9-10,15-16,19H,4-5,7-8,11-14H2,1-3H3;1H/q+1;/p-1