S-(1-ethylpiperidin-3-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride

Systemtic Name: S-(1-ethylpiperidin-3-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride Openeye Name: S-(1-ethyl-3-piperidyl) 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioate hydrochloride CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylethanethioic acid S-(1-ethyl-3-piperidinyl) ester hydrochloride IUPAC Name: S-(1-ethylpiperidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylethanethioate hydrochloride Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioic acid S-(1-ethyl-3-piperidyl) ester hydrochloride Formula: C21H32ClNO2S MolecularWeight: 398.00228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)SC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.Cl

Isomeric SMILES

CCN1CCCC(C1)SC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C21H31NO2S.ClH/c1-2-22-15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3,5-6,10-11,18-19,24H,2,4,7-9,12-16H2,1H3;1H