4-[[4-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-keto-2-(2-ketoimidazolidin-1-yl)ethyl]piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)C(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(C(=O)N1)C(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H21N5O2/c18-11-14-1-3-15(4-2-14)12-20-7-9-21(10-8-20)13-16(23)22-6-5-19-17(22)24/h1-4H,5-10,12-13H2,(H,19,24)/p+1