1-ethyl-3-phenyl-4-(1-piperazin-1-ylpropyl)imidazolidin-2-imine hydrate trihydrochloride

Systemtic Name: 1-ethyl-3-phenyl-4-(1-piperazin-1-ylpropyl)imidazolidin-2-imine hydrate trihydrochloride Openeye Name: 1-ethyl-3-phenyl-4-(1-piperazin-1-ylpropyl)imidazolidin-2-imine hydrate trihydrochloride CAS Name: 1-ethyl-3-phenyl-4-[1-(1-piperazinyl)propyl]-2-imidazolidinimine hydrate trihydrochloride IUPAC Name: 1-ethyl-3-phenyl-4-(1-piperazin-1-ylpropyl)imidazolidin-2-imine hydrate trihydrochloride Traditional Name: [1-ethyl-3-phenyl-4-(1-piperazinopropyl)imidazolidin-2-ylidene]amine hydrate trihydrochloride Formula: C18H34Cl3N5O MolecularWeight: 442.85446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CN(C(=N)N1C2=CC=CC=C2)CC)N3CCNCC3.O.Cl.Cl.Cl

Isomeric SMILES

CCC(C1CN(C(=N)N1C2=CC=CC=C2)CC)N3CCNCC3.O.Cl.Cl.Cl

InChI

InChI=1S/C18H29N5.3ClH.H2O/c1-3-16(22-12-10-20-11-13-22)17-14-21(4-2)18(19)23(17)15-8-6-5-7-9-15;;;;/h5-9,16-17,19-20H,3-4,10-14H2,1-2H3;3*1H;1H2