5-azanyl-2-[2-(1H-imidazol-3-ium-5-yl)ethylamino]benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[2-(1H-imidazol-3-ium-5-yl)ethylamino]benzenecarbonitrile Openeye Name: 5-amino-2-[2-(1H-imidazol-3-ium-5-yl)ethylamino]benzonitrile CAS Name: 5-amino-2-[2-(1H-imidazol-3-ium-5-yl)ethylamino]benzonitrile IUPAC Name: 5-amino-2-[2-(1H-imidazol-3-ium-5-yl)ethylamino]benzonitrile Traditional Name: 5-amino-2-[2-(1H-imidazol-3-ium-5-yl)ethylamino]benzonitrile Formula: C12H14N5+ MolecularWeight: 228.27306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C#N)NCCC2=C[NH+]=CN2

Isomeric SMILES

C1=CC(=C(C=C1N)C#N)NCCC2=C[NH+]=CN2

InChI

InChI=1S/C12H13N5/c13-6-9-5-10(14)1-2-12(9)16-4-3-11-7-15-8-17-11/h1-2,5,7-8,16H,3-4,14H2,(H,15,17)/p+1