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

Systemtic Name: 4-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]benzonitrile CAS Name: 4-[2-(4-benzoyl-1-pyridin-1-iumyl)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]benzonitrile Traditional Name: 4-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]benzonitrile Formula: C21H15N2O2+ MolecularWeight: 327.356

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N2O2/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/q+1