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

Systemtic Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[3-[homoveratryl(methyl)amino]piperidino]-4-(2-thienyl)butan-1-one Formula: C24H34N2O3S MolecularWeight: 430.60336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CCCC3=CC=CS3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C24H34N2O3S/c1-25(15-13-19-11-12-22(28-2)23(17-19)29-3)20-7-5-14-26(18-20)24(27)10-4-8-21-9-6-16-30-21/h6,9,11-12,16-17,20H,4-5,7-8,10,13-15,18H2,1-3H3