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

Systemtic Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-2-(2-thienyl)ethanone CAS Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[3-[homoveratryl(methyl)amino]piperidino]-2-(2-thienyl)ethanone Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CC3=CC=CS3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C22H30N2O3S/c1-23(12-10-17-8-9-20(26-2)21(14-17)27-3)18-6-4-11-24(16-18)22(25)15-19-7-5-13-28-19/h5,7-9,13-14,18H,4,6,10-12,15-16H2,1-3H3