4-(2-methylpyridin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide

Systemtic Name: 4-(2-methylpyridin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide Openeye Name: 4-(2-methylpyridin-1-ium-1-yl)-3-oxo-2-phenyl-butanenitrile bromide CAS Name: 4-(2-methyl-1-pyridin-1-iumyl)-3-oxo-2-phenylbutanenitrile bromide IUPAC Name: 4-(2-methylpyridin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile bromide Traditional Name: 3-keto-4-(2-methylpyridin-1-ium-1-yl)-2-phenyl-butyronitrile bromide Formula: C16H15BrN2O MolecularWeight: 331.2071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N2O.BrH/c1-13-7-5-6-10-18(13)12-16(19)15(11-17)14-8-3-2-4-9-14;/h2-10,15H,12H2,1H3;1H/q+1;/p-1