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

Systemtic Name: 4-(2-methylquinolin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide Openeye Name: 4-(2-methylquinolin-1-ium-1-yl)-3-oxo-2-phenyl-butanenitrile bromide CAS Name: 4-(2-methyl-1-quinolin-1-iumyl)-3-oxo-2-phenylbutanenitrile bromide IUPAC Name: 4-(2-methylquinolin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile bromide Traditional Name: 3-keto-4-(2-methylquinolin-1-ium-1-yl)-2-phenyl-butyronitrile bromide Formula: C20H17BrN2O MolecularWeight: 381.26578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C=C1)CC(=O)C(C#N)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C=C1)CC(=O)C(C#N)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H17N2O.BrH/c1-15-11-12-17-9-5-6-10-19(17)22(15)14-20(23)18(13-21)16-7-3-2-4-8-16;/h2-12,18H,14H2,1H3;1H/q+1;/p-1