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

Systemtic Name: 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride Openeye Name: 2-[4-(2-pyridyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride CAS Name: 2-[4-(2-pyridinyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone dihydrochloride IUPAC Name: 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride Traditional Name: 2-[4-(2-pyridyl)piperazino]-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride Formula: C21H29Cl2N3O4 MolecularWeight: 458.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)N2CCN(CC2)C3=CC=CC=N3.Cl.Cl

Isomeric SMILES

CC(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)N2CCN(CC2)C3=CC=CC=N3.Cl.Cl

InChI

InChI=1S/C21H27N3O4.2ClH/c1-15(23-9-11-24(12-10-23)19-7-5-6-8-22-19)20(25)16-13-17(26-2)21(28-4)18(14-16)27-3;;/h5-8,13-15H,9-12H2,1-4H3;2*1H