pyridin-4-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone dihydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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