1-(3-methoxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3-methoxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3-methoxyphenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3-methoxyphenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-(3-methoxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3-methoxyphenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C17H15BrN2O2S MolecularWeight: 391.2822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CS3.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CS3.[Br-]

InChI

InChI=1S/C17H15N2O2S.BrH/c1-21-14-5-2-4-13(10-14)16(20)11-19-8-7-15(18-12-19)17-6-3-9-22-17;/h2-10,12H,11H2,1H3;1H/q+1;/p-1