4-(2-pyridin-1-ium-1-ylethanoyl)benzenecarbonitrile bromide

Systemtic Name: 4-(2-pyridin-1-ium-1-ylethanoyl)benzenecarbonitrile bromide Openeye Name: 4-(2-pyridin-1-ium-1-ylacetyl)benzonitrile bromide CAS Name: 4-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]benzonitrile bromide IUPAC Name: 4-(2-pyridin-1-ium-1-ylacetyl)benzonitrile bromide Traditional Name: 4-(2-pyridin-1-ium-1-ylacetyl)benzonitrile bromide Formula: C14H11BrN2O MolecularWeight: 303.15394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N2O.BrH/c15-10-12-4-6-13(7-5-12)14(17)11-16-8-2-1-3-9-16;/h1-9H,11H2;1H/q+1;/p-1