4-(2,6-dimethylquinolin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide

Systemtic Name: 4-(2,6-dimethylquinolin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide Openeye Name: 4-(2,6-dimethylquinolin-1-ium-1-yl)-3-oxo-2-phenyl-butanenitrile bromide CAS Name: 4-(2,6-dimethyl-1-quinolin-1-iumyl)-3-oxo-2-phenylbutanenitrile bromide IUPAC Name: 4-(2,6-dimethylquinolin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile bromide Traditional Name: 4-(2,6-dimethylquinolin-1-ium-1-yl)-3-keto-2-phenyl-butyronitrile bromide Formula: C21H19BrN2O MolecularWeight: 395.29236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(C=C2)C)CC(=O)C(C#N)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(C=C2)C)CC(=O)C(C#N)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H19N2O.BrH/c1-15-8-11-20-18(12-15)10-9-16(2)23(20)14-21(24)19(13-22)17-6-4-3-5-7-17;/h3-12,19H,14H2,1-2H3;1H/q+1;/p-1