2-[4-[3-(4-phenacylpiperazin-1-yl)propyl]piperazin-1-yl]-1-phenyl-ethanone hydrate tetrahydrochloride

Systemtic Name: 2-[4-[3-(4-phenacylpiperazin-1-yl)propyl]piperazin-1-yl]-1-phenyl-ethanone hydrate tetrahydrochloride Openeye Name: 2-[4-[3-(4-phenacylpiperazin-1-yl)propyl]piperazin-1-yl]-1-phenyl-ethanone hydrate tetrahydrochloride CAS Name: 2-[4-[3-(4-phenacyl-1-piperazinyl)propyl]-1-piperazinyl]-1-phenylethanone hydrate tetrahydrochloride IUPAC Name: 2-[4-[3-(4-phenacylpiperazin-1-yl)propyl]piperazin-1-yl]-1-phenylethanone hydrate tetrahydrochloride Traditional Name: 2-[4-[3-(4-phenacylpiperazino)propyl]piperazino]-1-phenyl-ethanone hydrate tetrahydrochloride Formula: C27H42Cl4N4O3 MolecularWeight: 612.45938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2CCN(CC2)CC(=O)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4.O.Cl.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCN2CCN(CC2)CC(=O)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/C27H36N4O2.4ClH.H2O/c32-26(24-8-3-1-4-9-24)22-30-18-14-28(15-19-30)12-7-13-29-16-20-31(21-17-29)23-27(33)25-10-5-2-6-11-25;;;;;/h1-6,8-11H,7,12-23H2;4*1H;1H2