1-(2-cyanoethyl)-1-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]aziridin-1-ium-2-carbonitrile

Systemtic Name: 1-(2-cyanoethyl)-1-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]aziridin-1-ium-2-carbonitrile Openeye Name: 1-(2-cyanoethyl)-1-[4-(1,3-dimethylimidazol-1-ium-2-yl)azophenyl]aziridin-1-ium-2-carbonitrile CAS Name: 1-(2-cyanoethyl)-1-[4-[(1,3-dimethyl-2-imidazol-1-iumyl)azo]phenyl]-2-aziridin-1-iumcarbonitrile IUPAC Name: 1-(2-cyanoethyl)-1-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]aziridin-1-ium-2-carbonitrile Traditional Name: 1-(2-cyanoethyl)-1-[4-(1,3-dimethylimidazol-1-ium-2-yl)azophenyl]ethylenimin-1-ium-2-carbonitrile Formula: C17H19N7+2 MolecularWeight: 321.37966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)[N+]3(CC3C#N)CCC#N)C

Isomeric SMILES

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)[N+]3(CC3C#N)CCC#N)C

InChI

InChI=1S/C17H19N7/c1-22-9-10-23(2)17(22)21-20-14-4-6-15(7-5-14)24(11-3-8-18)13-16(24)12-19/h4-7,9-10,16H,3,11,13H2,1-2H3/q+2