2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(pyridin-1-ium-2-ylamino)prop-2-enenitrile

Systemtic Name: 2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(pyridin-1-ium-2-ylamino)prop-2-enenitrile Openeye Name: 2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(pyridin-1-ium-2-ylamino)prop-2-enenitrile CAS Name: 2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(2-pyridin-1-iumylamino)-2-propenenitrile IUPAC Name: 2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(pyridin-1-ium-2-ylamino)prop-2-enenitrile Traditional Name: 2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(pyridin-1-ium-2-ylamino)acrylonitrile Formula: C16H15N5+2 MolecularWeight: 277.3238

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)C(=CNC3=CC=CC=[NH+]3)C#N

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)C(=CNC3=CC=CC=[NH+]3)C#N

InChI

InChI=1S/C16H13N5/c1-21-14-7-3-2-6-13(14)20-16(21)12(10-17)11-19-15-8-4-5-9-18-15/h2-9,11H,1H3,(H,18,19,20)/p+2