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

Systemtic Name: 4-[2-(4-phenylpyrimidin-1-ium-1-yl)ethanoyl]benzenecarbonitrile bromide Openeye Name: 4-[2-(4-phenylpyrimidin-1-ium-1-yl)acetyl]benzonitrile bromide CAS Name: 4-[1-oxo-2-(4-phenyl-1-pyrimidin-1-iumyl)ethyl]benzonitrile bromide IUPAC Name: 4-[2-(4-phenylpyrimidin-1-ium-1-yl)acetyl]benzonitrile bromide Traditional Name: 4-[2-(4-phenylpyrimidin-1-ium-1-yl)acetyl]benzonitrile bromide Formula: C19H14BrN3O MolecularWeight: 380.23796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N3O.BrH/c20-12-15-6-8-17(9-7-15)19(23)13-22-11-10-18(21-14-22)16-4-2-1-3-5-16;/h1-11,14H,13H2;1H/q+1;/p-1