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

Systemtic Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[(3S)-3-[homoveratryl(methyl)amino]piperidino]-3-(methylthio)propan-1-one Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CCSC

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)CCSC

InChI

InChI=1S/C20H32N2O3S/c1-21(12-9-16-7-8-18(24-2)19(14-16)25-3)17-6-5-11-22(15-17)20(23)10-13-26-4/h7-8,14,17H,5-6,9-13,15H2,1-4H3/t17-/m0/s1