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

Systemtic Name: [6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate dihydrochloride Openeye Name: [6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate dihydrochloride CAS Name: benzoic acid [6-[(4-ethyl-1-piperazinyl)methyl]-2,3-dimethoxyphenyl] ester dihydrochloride IUPAC Name: [6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] benzoate dihydrochloride Traditional Name: benzoic acid [6-[(4-ethylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester dihydrochloride Formula: C22H30Cl2N2O4 MolecularWeight: 457.3906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C22H28N2O4.2ClH/c1-4-23-12-14-24(15-13-23)16-18-10-11-19(26-2)21(27-3)20(18)28-22(25)17-8-6-5-7-9-17;;/h5-11H,4,12-16H2,1-3H3;2*1H