(E)-3-(3-methylimidazol-3-ium-1-yl)-3-phenyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-methylimidazol-3-ium-1-yl)-3-phenyl-prop-2-enenitrile Openeye Name: (E)-3-(3-methylimidazol-3-ium-1-yl)-3-phenyl-prop-2-enenitrile CAS Name: (E)-3-(3-methyl-1-imidazol-3-iumyl)-3-phenyl-2-propenenitrile IUPAC Name: (E)-3-(3-methylimidazol-3-ium-1-yl)-3-phenylprop-2-enenitrile Traditional Name: (E)-3-(3-methylimidazol-3-ium-1-yl)-3-phenyl-acrylonitrile Formula: C13H12N3+ MolecularWeight: 210.25448

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=CC#N)C2=CC=CC=C2

Isomeric SMILES

C[N+]1=CN(C=C1)/C(=C/C#N)/C2=CC=CC=C2

InChI

InChI=1S/C13H12N3/c1-15-9-10-16(11-15)13(7-8-14)12-5-3-2-4-6-12/h2-7,9-11H,1H3/q+1/b13-7+