1-(4-bromophenyl)-2-[4-(3-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-[4-(3-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-[4-(3-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-bromophenyl)-2-[4-(3-methoxyphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-[4-(3-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-[4-(3-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C19H16Br2N2O2 MolecularWeight: 464.15054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C19H16BrN2O2.BrH/c1-24-17-4-2-3-15(11-17)18-9-10-22(13-21-18)12-19(23)14-5-7-16(20)8-6-14;/h2-11,13H,12H2,1H3;1H/q+1;/p-1