methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)ethanoate hydrochloride

Systemtic Name: methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)ethanoate hydrochloride Openeye Name: methyl 2-(2-chlorophenyl)-2-(4-sulfanyl-1-piperidyl)acetate hydrochloride CAS Name: 2-(2-chlorophenyl)-2-(4-mercapto-1-piperidinyl)acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)acetate hydrochloride Traditional Name: 2-(2-chlorophenyl)-2-(4-mercaptopiperidino)acetic acid methyl ester hydrochloride Formula: C14H19Cl2NO2S MolecularWeight: 336.27716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCC(CC2)S.Cl

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCC(CC2)S.Cl

InChI

InChI=1S/C14H18ClNO2S.ClH/c1-18-14(17)13(11-4-2-3-5-12(11)15)16-8-6-10(19)7-9-16;/h2-5,10,13,19H,6-9H2,1H3;1H