1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC=[N+](C=C2)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=[N+](C=C2)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H21N2O4.BrH/c1-25-19-11-16(12-20(26-2)21(19)27-3)17-9-10-23(14-22-17)13-18(24)15-7-5-4-6-8-15;/h4-12,14H,13H2,1-3H3;1H/q+1;/p-1