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

Systemtic Name: 2-(4-methylmorpholin-4-ium-4-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(4-methylmorpholin-4-ium-4-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(4-methyl-4-morpholin-4-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(4-methylmorpholin-4-ium-4-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(4-methylmorpholin-4-ium-4-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C13H17BrN2O4 MolecularWeight: 345.18908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+]1(CCOCC1)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C13H17N2O4.BrH/c1-15(5-7-19-8-6-15)10-13(16)11-3-2-4-12(9-11)14(17)18;/h2-4,9H,5-8,10H2,1H3;1H/q+1;/p-1