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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[4-(2,4-dimethylphenyl)-1-pyrimidin-1-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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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)OC)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N2O2.BrH/c1-15-4-9-19(16(2)12-15)20-10-11-23(14-22-20)13-21(24)17-5-7-18(25-3)8-6-17;/h4-12,14H,13H2,1-3H3;1H/q+1;/p-1