(E)-3-(3-methylimidazol-3-ium-1-yl)but-2-enenitrile

Systemtic Name: (E)-3-(3-methylimidazol-3-ium-1-yl)but-2-enenitrile Openeye Name: (E)-3-(3-methylimidazol-3-ium-1-yl)but-2-enenitrile CAS Name: (E)-3-(3-methyl-1-imidazol-3-iumyl)-2-butenenitrile IUPAC Name: (E)-3-(3-methylimidazol-3-ium-1-yl)but-2-enenitrile Traditional Name: (E)-3-(3-methylimidazol-3-ium-1-yl)but-2-enenitrile Formula: C8H10N3+ MolecularWeight: 148.1851

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)N1C=C[N+](=C1)C

Isomeric SMILES

C/C(=C\C#N)/N1C=C[N+](=C1)C

InChI

InChI=1S/C8H10N3/c1-8(3-4-9)11-6-5-10(2)7-11/h3,5-7H,1-2H3/q+1/b8-3+