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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-cyanophenyl)-2-cyclopentyl-propanoate bromide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-cyanophenyl)-2-cyclopentyl-propanoate bromide CAS Name: 2-(3-cyanophenyl)-2-cyclopentylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-cyanophenyl)-2-cyclopentylpropanoate bromide Traditional Name: 2-(3-cyanophenyl)-2-cyclopentyl-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester bromide Formula: C22H31BrN2O2 MolecularWeight: 435.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N2O2.BrH/c1-22(18-8-4-5-9-18,19-10-6-7-17(15-19)16-23)21(25)26-20-11-13-24(2,3)14-12-20;/h6-7,10,15,18,20H,4-5,8-9,11-14H2,1-3H3;1H/q+1;/p-1