2-(6-methylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-(6-methylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(6-methylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(6-methyl-1-quinolin-1-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(6-methylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(6-methylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N2O3.BrH/c1-13-7-8-17-14(10-13)5-3-9-19(17)12-18(21)15-4-2-6-16(11-15)20(22)23;/h2-11H,12H2,1H3;1H/q+1;/p-1