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

Systemtic Name: 2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[4-(2-furyl)pyrimidin-1-ium-1-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[4-(2-furanyl)-1-pyrimidin-1-iumyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[4-(2-furyl)pyrimidin-1-ium-1-yl]-1-(2-thienyl)ethanone bromide Formula: C14H11BrN2O2S MolecularWeight: 351.21834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N2O2S.BrH/c17-12(14-4-2-8-19-14)9-16-6-5-11(15-10-16)13-3-1-7-18-13;/h1-8,10H,9H2;1H/q+1;/p-1