1-[3-methyl-4-(3-methylbutylsulfanyl)phenyl]-3-piperidin-1-yl-propan-1-one hydrochloride

Systemtic Name: 1-[3-methyl-4-(3-methylbutylsulfanyl)phenyl]-3-piperidin-1-yl-propan-1-one hydrochloride Openeye Name: 1-(4-isopentylsulfanyl-3-methyl-phenyl)-3-(1-piperidyl)propan-1-one hydrochloride CAS Name: 1-[3-methyl-4-(3-methylbutylthio)phenyl]-3-(1-piperidinyl)-1-propanone hydrochloride IUPAC Name: 1-[3-methyl-4-(3-methylbutylsulfanyl)phenyl]-3-piperidin-1-ylpropan-1-one hydrochloride Traditional Name: 1-[4-(isoamylthio)-3-methyl-phenyl]-3-piperidino-propan-1-one hydrochloride Formula: C20H32ClNOS MolecularWeight: 369.99218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CCN2CCCCC2)SCCC(C)C.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CCN2CCCCC2)SCCC(C)C.Cl

InChI

InChI=1S/C20H31NOS.ClH/c1-16(2)10-14-23-20-8-7-18(15-17(20)3)19(22)9-13-21-11-5-4-6-12-21;/h7-8,15-16H,4-6,9-14H2,1-3H3;1H