4-[(3-methylimidazol-3-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzonitrile CAS Name: 4-[(3-methyl-1-imidazol-3-iumyl)methyl]benzonitrile IUPAC Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzonitrile Formula: C12H12N3+ MolecularWeight: 198.24378

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H12N3/c1-14-6-7-15(10-14)9-12-4-2-11(8-13)3-5-12/h2-7,10H,9H2,1H3/q+1