2-(4-methylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-(4-methylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(4-methylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(4-methyl-1-quinolin-1-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(4-methylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(4-methylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C18H15BrN2O3 MolecularWeight: 387.2273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

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