[6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] pyridine-3-carboxylate trihydrochloride

Systemtic Name: [6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] pyridine-3-carboxylate trihydrochloride Openeye Name: [6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] pyridine-3-carboxylate trihydrochloride CAS Name: 3-pyridinecarboxylic acid [6-[(4-ethyl-1-piperazinyl)methyl]-2,3-dimethoxyphenyl] ester trihydrochloride IUPAC Name: [6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] pyridine-3-carboxylate trihydrochloride Traditional Name: nicotinic acid [6-[(4-ethylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester trihydrochloride Formula: C21H30Cl3N3O4 MolecularWeight: 494.8396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4.3ClH/c1-4-23-10-12-24(13-11-23)15-17-7-8-18(26-2)20(27-3)19(17)28-21(25)16-6-5-9-22-14-16;;;/h5-9,14H,4,10-13,15H2,1-3H3;3*1H