4-azanyl-2,6-dimethyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide hydrate trihydrochloride

Systemtic Name: 4-azanyl-2,6-dimethyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide hydrate trihydrochloride Openeye Name: 4-amino-2,6-dimethyl-N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]benzamide hydrate trihydrochloride CAS Name: 4-amino-2,6-dimethyl-N-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]benzamide hydrate trihydrochloride IUPAC Name: 4-amino-2,6-dimethyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide hydrate trihydrochloride Traditional Name: 4-amino-2,6-dimethyl-N-[2-[4-(2-pyridyl)piperazino]ethyl]benzamide hydrate trihydrochloride Formula: C20H32Cl3N5O2 MolecularWeight: 480.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=N3)C)N.O.Cl.Cl.Cl

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=N3)C)N.O.Cl.Cl.Cl

InChI

InChI=1S/C20H27N5O.3ClH.H2O/c1-15-13-17(21)14-16(2)19(15)20(26)23-7-8-24-9-11-25(12-10-24)18-5-3-4-6-22-18;;;;/h3-6,13-14H,7-12,21H2,1-2H3,(H,23,26);3*1H;1H2