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

Systemtic Name: 4-(2,4-dimethylpyridin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide Openeye Name: 4-(2,4-dimethylpyridin-1-ium-1-yl)-3-oxo-2-phenyl-butanenitrile bromide CAS Name: 4-(2,4-dimethyl-1-pyridin-1-iumyl)-3-oxo-2-phenylbutanenitrile bromide IUPAC Name: 4-(2,4-dimethylpyridin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile bromide Traditional Name: 4-(2,4-dimethylpyridin-1-ium-1-yl)-3-keto-2-phenyl-butyronitrile bromide Formula: C17H17BrN2O MolecularWeight: 345.23368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N2O.BrH/c1-13-8-9-19(14(2)10-13)12-17(20)16(11-18)15-6-4-3-5-7-15;/h3-10,16H,12H2,1-2H3;1H/q+1;/p-1