N-(3-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate hexahydrochloride

Systemtic Name: N-(3-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate hexahydrochloride Openeye Name: N-(3-aminophenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide hydrate hexahydrochloride CAS Name: N-(3-aminophenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide hydrate hexahydrochloride IUPAC Name: N-(3-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate hexahydrochloride Traditional Name: N-(3-aminophenyl)-3-[4-(2-pyridyl)piperazino]propionamide hydrate hexahydrochloride Formula: C36H54Cl6N10O3 MolecularWeight: 887.59716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=CC(=C2)N)C3=CC=CC=N3.C1CN(CCN1CCC(=O)NC2=CC=CC(=C2)N)C3=CC=CC=N3.O.Cl.Cl.Cl.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=CC(=C2)N)C3=CC=CC=N3.C1CN(CCN1CCC(=O)NC2=CC=CC(=C2)N)C3=CC=CC=N3.O.Cl.Cl.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C18H23N5O.6ClH.H2O/c2*19-15-4-3-5-16(14-15)21-18(24)7-9-22-10-12-23(13-11-22)17-6-1-2-8-20-17;;;;;;;/h2*1-6,8,14H,7,9-13,19H2,(H,21,24);6*1H;1H2