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

Systemtic Name: 1-(4-methoxyphenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-(4-methyl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethanone bromide Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N2O2.BrH/c1-11-7-8-16(10-15-11)9-14(17)12-3-5-13(18-2)6-4-12;/h3-8,10H,9H2,1-2H3;1H/q+1;/p-1