2-[4-(4-methylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-[4-(4-methylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Openeye Name: 1-(3-nitrophenyl)-2-[4-(p-tolyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 2-[4-(4-methylphenyl)-1-pyrimidin-1-iumyl]-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(4-methylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Traditional Name: 1-(3-nitrophenyl)-2-[4-(p-tolyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N3O3.BrH/c1-14-5-7-15(8-6-14)18-9-10-21(13-20-18)12-19(23)16-3-2-4-17(11-16)22(24)25;/h2-11,13H,12H2,1H3;1H/q+1;/p-1