1-(4-cyano-4,4-diphenyl-butyl)piperidine-4-carboxylic acid hydrochloride

Systemtic Name: 1-(4-cyano-4,4-diphenyl-butyl)piperidine-4-carboxylic acid hydrochloride Openeye Name: 1-(4-cyano-4,4-diphenyl-butyl)piperidine-4-carboxylic acid hydrochloride CAS Name: 1-(4-cyano-4,4-diphenylbutyl)-4-piperidinecarboxylic acid hydrochloride IUPAC Name: 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid hydrochloride Traditional Name: 1-(4-cyano-4,4-diphenyl-butyl)isonipecotic acid hydrochloride Formula: C23H27ClN2O2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C23H26N2O2.ClH/c24-18-23(20-8-3-1-4-9-20,21-10-5-2-6-11-21)14-7-15-25-16-12-19(13-17-25)22(26)27;/h1-6,8-11,19H,7,12-17H2,(H,26,27);1H