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

Systemtic Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one Openeye Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-3-(2-thienyl)propan-1-one CAS Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-3-thiophen-2-yl-1-propanone IUPAC Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one Traditional Name: 1-[(3S)-3-[homoveratryl(methyl)amino]piperidino]-3-(2-thienyl)propan-1-one Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CCC3=CC=CS3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)CCC3=CC=CS3

InChI

InChI=1S/C23H32N2O3S/c1-24(14-12-18-8-10-21(27-2)22(16-18)28-3)19-6-4-13-25(17-19)23(26)11-9-20-7-5-15-29-20/h5,7-8,10,15-16,19H,4,6,9,11-14,17H2,1-3H3/t19-/m0/s1