(3R)-1-[2-(diphenylmethyl)sulfanylethyl]piperidine-3-carboxylic acid hydrochloride

Systemtic Name: (3R)-1-[2-(diphenylmethyl)sulfanylethyl]piperidine-3-carboxylic acid hydrochloride Openeye Name: (3R)-1-(2-benzhydrylsulfanylethyl)piperidine-3-carboxylic acid hydrochloride CAS Name: (3R)-1-[2-[(diphenylmethyl)thio]ethyl]-3-piperidinecarboxylic acid hydrochloride IUPAC Name: (3R)-1-(2-benzhydrylsulfanylethyl)piperidine-3-carboxylic acid hydrochloride Traditional Name: (3R)-1-[2-(benzhydrylthio)ethyl]nipecotic acid hydrochloride Formula: C21H26ClNO2S MolecularWeight: 391.95464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCSC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.Cl

Isomeric SMILES

C1C[C@H](CN(C1)CCSC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.Cl

InChI

InChI=1S/C21H25NO2S.ClH/c23-21(24)19-12-7-13-22(16-19)14-15-25-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-6,8-11,19-20H,7,12-16H2,(H,23,24);1H/t19-;/m1./s1