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

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

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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.[Br-]

Isomeric SMILES

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

InChI

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