methyl 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methyl-3-piperidyl]methylsulfanyl]acetate CAS Name: 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methyl-3-piperidinyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetate Traditional Name: 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methyl-3-piperidyl]methylthio]acetic acid methyl ester Formula: C16H22ClNO2S MolecularWeight: 327.86938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)CSCC(=O)OC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1CC[C@H]([C@H](C1)CSCC(=O)OC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClNO2S/c1-18-8-7-15(12-3-5-14(17)6-4-12)13(9-18)10-21-11-16(19)20-2/h3-6,13,15H,7-11H2,1-2H3/t13-,15+/m1/s1