2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride

Systemtic Name: 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride Openeye Name: 2-[4-(2-pyridyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride CAS Name: 2-[4-(2-pyridinyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride IUPAC Name: 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride Traditional Name: 2-[4-(2-pyridyl)piperazino]-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride Formula: C20H27Cl2N3O4 MolecularWeight: 444.35208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)C3=CC=CC=N3.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)C3=CC=CC=N3.Cl.Cl

InChI

InChI=1S/C20H25N3O4.2ClH/c1-25-17-12-15(13-18(26-2)20(17)27-3)16(24)14-22-8-10-23(11-9-22)19-6-4-5-7-21-19;;/h4-7,12-13H,8-11,14H2,1-3H3;2*1H