[2,3-dimethoxy-6-[(4-methylpiperazin-1-yl)methyl]phenyl] benzoate dihydrochloride

Systemtic Name: [2,3-dimethoxy-6-[(4-methylpiperazin-1-yl)methyl]phenyl] benzoate dihydrochloride Openeye Name: [2,3-dimethoxy-6-[(4-methylpiperazin-1-yl)methyl]phenyl] benzoate dihydrochloride CAS Name: benzoic acid [2,3-dimethoxy-6-[(4-methyl-1-piperazinyl)methyl]phenyl] ester dihydrochloride IUPAC Name: [2,3-dimethoxy-6-[(4-methylpiperazin-1-yl)methyl]phenyl] benzoate dihydrochloride Traditional Name: benzoic acid [2,3-dimethoxy-6-[(4-methylpiperazino)methyl]phenyl] ester dihydrochloride Formula: C21H28Cl2N2O4 MolecularWeight: 443.36402

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H26N2O4.2ClH/c1-22-11-13-23(14-12-22)15-17-9-10-18(25-2)20(26-3)19(17)27-21(24)16-7-5-4-6-8-16;;/h4-10H,11-15H2,1-3H3;2*1H