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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)C(C#N)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C(C#N)C2=CC=CC=C2.[Br-]

InChI

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