2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[4-(2,4-dimethoxyphenyl)-1-pyrimidin-1-iumyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-(2-thienyl)ethanone bromide Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=CS3)OC.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=CS3)OC.[Br-]

InChI

InChI=1S/C18H17N2O3S.BrH/c1-22-13-5-6-14(17(10-13)23-2)15-7-8-20(12-19-15)11-16(21)18-4-3-9-24-18;/h3-10,12H,11H2,1-2H3;1H/q+1;/p-1