[2,3-dimethoxy-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl] benzoate trihydrochloride

Systemtic Name: [2,3-dimethoxy-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl] benzoate trihydrochloride Openeye Name: [2,3-dimethoxy-6-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl] benzoate trihydrochloride CAS Name: benzoic acid [2,3-dimethoxy-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl] ester trihydrochloride IUPAC Name: [2,3-dimethoxy-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl] benzoate trihydrochloride Traditional Name: benzoic acid [2,3-dimethoxy-6-[[4-(2-pyridyl)piperazino]methyl]phenyl] ester trihydrochloride Formula: C25H30Cl3N3O4 MolecularWeight: 542.8824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OC(=O)C4=CC=CC=C4)OC.Cl.Cl.Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OC(=O)C4=CC=CC=C4)OC.Cl.Cl.Cl

InChI

InChI=1S/C25H27N3O4.3ClH/c1-30-21-12-11-20(18-27-14-16-28(17-15-27)22-10-6-7-13-26-22)23(24(21)31-2)32-25(29)19-8-4-3-5-9-19;;;/h3-13H,14-18H2,1-2H3;3*1H