1-phenacylpyridin-1-ium-3-carbonitrile bromide

Systemtic Name: 1-phenacylpyridin-1-ium-3-carbonitrile bromide Openeye Name: 1-phenacylpyridin-1-ium-3-carbonitrile bromide CAS Name: 1-phenacyl-3-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-phenacylpyridin-1-ium-3-carbonitrile bromide Traditional Name: 1-phenacylpyridin-1-ium-3-carbonitrile bromide Formula: C14H11BrN2O MolecularWeight: 303.15394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C#N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C#N.[Br-]

InChI

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