(4-butan-2-ylsulfanyl-1-methyl-4-phenyl-piperidin-3-yl) ethanoate hydrochloride

Systemtic Name: (4-butan-2-ylsulfanyl-1-methyl-4-phenyl-piperidin-3-yl) ethanoate hydrochloride Openeye Name: (1-methyl-4-phenyl-4-sec-butylsulfanyl-3-piperidyl) acetate hydrochloride CAS Name: acetic acid [4-(butan-2-ylthio)-1-methyl-4-phenyl-3-piperidinyl] ester hydrochloride IUPAC Name: (4-butan-2-ylsulfanyl-1-methyl-4-phenylpiperidin-3-yl) acetate hydrochloride Traditional Name: acetic acid [1-methyl-4-phenyl-4-(sec-butylthio)-3-piperidyl] ester hydrochloride Formula: C18H28ClNO2S MolecularWeight: 357.93842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1(CCN(CC1OC(=O)C)C)C2=CC=CC=C2.Cl

Isomeric SMILES

CCC(C)SC1(CCN(CC1OC(=O)C)C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C18H27NO2S.ClH/c1-5-14(2)22-18(16-9-7-6-8-10-16)11-12-19(4)13-17(18)21-15(3)20;/h6-10,14,17H,5,11-13H2,1-4H3;1H