2-[4-(diphenylmethyl)sulfanylpiperidin-1-yl]propanoate hydrochloride

Systemtic Name: 2-[4-(diphenylmethyl)sulfanylpiperidin-1-yl]propanoate hydrochloride Openeye Name: 2-(4-benzhydrylsulfanyl-1-piperidyl)propanoate hydrochloride CAS Name: 2-[4-[(diphenylmethyl)thio]-1-piperidinyl]propanoate hydrochloride IUPAC Name: 2-(4-benzhydrylsulfanylpiperidin-1-yl)propanoate hydrochloride Traditional Name: 2-[4-(benzhydrylthio)piperidino]propionate hydrochloride Formula: C21H25ClNO2S- MolecularWeight: 390.9467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1CCC(CC1)SC(C2=CC=CC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(C(=O)[O-])N1CCC(CC1)SC(C2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H25NO2S.ClH/c1-16(21(23)24)22-14-12-19(13-15-22)25-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-11,16,19-20H,12-15H2,1H3,(H,23,24);1H/p-1