2-(4-methylpyrimidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(4-methylpyrimidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(4-methylpyrimidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(4-methyl-1-pyrimidin-1-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(4-methylpyrimidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(4-methylpyrimidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C13H12BrN3O3 MolecularWeight: 338.15668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N3O3.BrH/c1-10-6-7-15(9-14-10)8-13(17)11-2-4-12(5-3-11)16(18)19;/h2-7,9H,8H2,1H3;1H/q+1;/p-1