2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C15H15BrN2O3 MolecularWeight: 351.1952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N2O3.BrH/c1-11-6-12(2)9-16(8-11)10-15(18)13-4-3-5-14(7-13)17(19)20;/h3-9H,10H2,1-2H3;1H/q+1;/p-1