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

Systemtic Name: 4-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]benzenecarbonitrile bromide Openeye Name: 4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]benzonitrile bromide CAS Name: 4-[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]benzonitrile bromide IUPAC Name: 4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]benzonitrile bromide Traditional Name: 4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]benzonitrile bromide Formula: C15H13BrN2O MolecularWeight: 317.18052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)C#N.[Br-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)C#N.[Br-]

InChI

InChI=1S/C15H13N2O.BrH/c1-12-4-2-3-9-17(12)11-15(18)14-7-5-13(10-16)6-8-14;/h2-9H,11H2,1H3;1H/q+1;/p-1