N-[4-[2-(4-cyanopyridin-1-ium-1-yl)ethanoyl]phenyl]benzamide bromide

Systemtic Name: N-[4-[2-(4-cyanopyridin-1-ium-1-yl)ethanoyl]phenyl]benzamide bromide Openeye Name: N-[4-[2-(4-cyanopyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide CAS Name: N-[4-[2-(4-cyano-1-pyridin-1-iumyl)-1-oxoethyl]phenyl]benzamide bromide IUPAC Name: N-[4-[2-(4-cyanopyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide Traditional Name: N-[4-[2-(4-cyanopyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C#N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C#N.[Br-]

InChI

InChI=1S/C21H15N3O2.BrH/c22-14-16-10-12-24(13-11-16)15-20(25)17-6-8-19(9-7-17)23-21(26)18-4-2-1-3-5-18;/h1-13H,15H2;1H