4-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoyl]benzenecarbonitrile bromide

Systemtic Name: 4-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoyl]benzenecarbonitrile bromide Openeye Name: 4-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]benzonitrile bromide CAS Name: 4-[2-(4-benzoyl-1-pyridin-1-iumyl)-1-oxoethyl]benzonitrile bromide IUPAC Name: 4-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]benzonitrile bromide Traditional Name: 4-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]benzonitrile bromide Formula: C21H15BrN2O2 MolecularWeight: 407.26

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C#N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C#N.[Br-]

InChI

InChI=1S/C21H15N2O2.BrH/c22-14-16-6-8-17(9-7-16)20(24)15-23-12-10-19(11-13-23)21(25)18-4-2-1-3-5-18;/h1-13H,15H2;1H/q+1;/p-1