2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-[4-(2,4-dimethylphenyl)-1-pyrimidin-1-iumyl]-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N3O3.BrH/c1-14-3-8-18(15(2)11-14)19-9-10-22(13-21-19)12-20(24)16-4-6-17(7-5-16)23(25)26;/h3-11,13H,12H2,1-2H3;1H/q+1;/p-1