3-azanylidene-2-[(E)-(3-methylimidazol-3-ium-1-yl)iminomethyl]prop-2-enenitrile

Systemtic Name: 3-azanylidene-2-[(E)-(3-methylimidazol-3-ium-1-yl)iminomethyl]prop-2-enenitrile Openeye Name: 3-imino-2-[(E)-(3-methylimidazol-3-ium-1-yl)iminomethyl]prop-2-enenitrile CAS Name: 3-imino-2-[(E)-(3-methyl-1-imidazol-3-iumyl)iminomethyl]-2-propenenitrile IUPAC Name: 3-imino-2-[(E)-(3-methylimidazol-3-ium-1-yl)iminomethyl]prop-2-enenitrile Traditional Name: 3-imino-2-[(E)-(3-methylimidazol-3-ium-1-yl)iminomethyl]acrylonitrile Formula: C8H8N5+ MolecularWeight: 174.18262

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)N=CC(=C=N)C#N

Isomeric SMILES

C[N+]1=CN(C=C1)/N=C/C(=C=N)C#N

InChI

InChI=1S/C8H8N5/c1-12-2-3-13(7-12)11-6-8(4-9)5-10/h2-3,6-7,9H,1H3/q+1/b11-6+