4-[2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanoyl]benzenecarbonitrile bromide

Systemtic Name: 4-[2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanoyl]benzenecarbonitrile bromide Openeye Name: 4-[2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]acetyl]benzonitrile bromide CAS Name: 4-[2-[4-(3-chlorophenyl)-1-pyrimidin-1-iumyl]-1-oxoethyl]benzonitrile bromide IUPAC Name: 4-[2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]acetyl]benzonitrile bromide Traditional Name: 4-[2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]acetyl]benzonitrile bromide Formula: C19H13BrClN3O MolecularWeight: 414.68302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN3O.BrH/c20-17-3-1-2-16(10-17)18-8-9-23(13-22-18)12-19(24)15-6-4-14(11-21)5-7-15;/h1-10,13H,12H2;1H/q+1;/p-1