4-[2-(3-methylimidazol-3-ium-1-yl)ethanoyl]benzenecarbonitrile bromide

Systemtic Name: 4-[2-(3-methylimidazol-3-ium-1-yl)ethanoyl]benzenecarbonitrile bromide Openeye Name: 4-[2-(3-methylimidazol-3-ium-1-yl)acetyl]benzonitrile bromide CAS Name: 4-[2-(3-methyl-1-imidazol-3-iumyl)-1-oxoethyl]benzonitrile bromide IUPAC Name: 4-[2-(3-methylimidazol-3-ium-1-yl)acetyl]benzonitrile bromide Traditional Name: 4-[2-(3-methylimidazol-3-ium-1-yl)acetyl]benzonitrile bromide Formula: C13H12BrN3O MolecularWeight: 306.15788

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)C#N.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)C#N.[Br-]

InChI

InChI=1S/C13H12N3O.BrH/c1-15-6-7-16(10-15)9-13(17)12-4-2-11(8-14)3-5-12;/h2-7,10H,9H2,1H3;1H/q+1;/p-1