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

Systemtic Name: 1-phenacylpyridin-1-ium-3-carbonitrile bromide hydrobromide Openeye Name: 1-phenacylpyridin-1-ium-3-carbonitrile bromide hydrobromide CAS Name: 1-phenacyl-3-pyridin-1-iumcarbonitrile bromide hydrobromide IUPAC Name: 1-phenacylpyridin-1-ium-3-carbonitrile bromide hydrobromide Traditional Name: 1-phenacylpyridin-1-ium-3-carbonitrile bromide hydrobromide Formula: C14H12Br2N2O MolecularWeight: 384.06588

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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.[Br-]

Isomeric SMILES

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

InChI

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