4-(6-methoxy-2-methyl-quinolin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide

Systemtic Name: 4-(6-methoxy-2-methyl-quinolin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide Openeye Name: 4-(6-methoxy-2-methyl-quinolin-1-ium-1-yl)-3-oxo-2-phenyl-butanenitrile bromide CAS Name: 4-(6-methoxy-2-methyl-1-quinolin-1-iumyl)-3-oxo-2-phenylbutanenitrile bromide IUPAC Name: 4-(6-methoxy-2-methylquinolin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile bromide Traditional Name: 3-keto-4-(6-methoxy-2-methyl-quinolin-1-ium-1-yl)-2-phenyl-butyronitrile bromide Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N2O2.BrH/c1-15-8-9-17-12-18(25-2)10-11-20(17)23(15)14-21(24)19(13-22)16-6-4-3-5-7-16;/h3-12,19H,14H2,1-2H3;1H/q+1;/p-1