1-[[(3S,4S)-4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]methylsulfanyl]propan-2-one

Systemtic Name: 1-[[(3S,4S)-4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]methylsulfanyl]propan-2-one Openeye Name: 1-[[(3S,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidyl]methylsulfanyl]propan-2-one CAS Name: 1-[[(3S,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidinyl]methylthio]-2-propanone IUPAC Name: 1-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]propan-2-one Traditional Name: 1-[[(3S,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidyl]methylthio]acetone Formula: C16H22ClNOS MolecularWeight: 311.86998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSCC1CN(CCC1C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC(=O)CSC[C@@H]1CN(CC[C@@H]1C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H22ClNOS/c1-12(19)10-20-11-14-9-18(2)8-7-16(14)13-3-5-15(17)6-4-13/h3-6,14,16H,7-11H2,1-2H3/t14-,16+/m0/s1