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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-cyanophenyl)-2-cyclopentyl-propanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-cyanophenyl)-2-cyclopentyl-propanoate CAS Name: 2-(3-cyanophenyl)-2-cyclopentylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-cyanophenyl)-2-cyclopentylpropanoate Traditional Name: 2-(3-cyanophenyl)-2-cyclopentyl-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C22H31N2O2+ MolecularWeight: 355.49374

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N2O2/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/q+1