2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone dihydrochloride

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone dihydrochloride Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)ethanone dihydrochloride CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone dihydrochloride IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)ethanone dihydrochloride Traditional Name: 1-(4-benzylpiperazino)-2-(3,4-dimethoxyphenyl)ethanone dihydrochloride Formula: C21H28Cl2N2O3 MolecularWeight: 427.36462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC.Cl.Cl

InChI

InChI=1S/C21H26N2O3.2ClH/c1-25-19-9-8-18(14-20(19)26-2)15-21(24)23-12-10-22(11-13-23)16-17-6-4-3-5-7-17;;/h3-9,14H,10-13,15-16H2,1-2H3;2*1H