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

Systemtic Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-2-(3-thienyl)ethanone CAS Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[3-[homoveratryl(methyl)amino]piperidino]-2-(3-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=CSC=C3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CC3=CSC=C3

InChI

InChI=1S/C22H30N2O3S/c1-23(11-8-17-6-7-20(26-2)21(13-17)27-3)19-5-4-10-24(15-19)22(25)14-18-9-12-28-16-18/h6-7,9,12-13,16,19H,4-5,8,10-11,14-15H2,1-3H3