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

Systemtic Name: 1-(2-hydroxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(2-hydroxyphenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(2-hydroxyphenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-(2-hydroxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(2-hydroxyphenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C16H13BrN2O2S MolecularWeight: 377.25562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O2S.BrH/c19-14-5-2-1-4-12(14)15(20)10-18-8-7-13(17-11-18)16-6-3-9-21-16;/h1-9,11H,10H2;1H