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

Systemtic Name: 1-(4-bromophenyl)-2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-[4-(2-furyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-bromophenyl)-2-[4-(2-furanyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-[4-(2-furyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C16H12Br2N2O2 MolecularWeight: 424.08668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN2O2.BrH/c17-13-5-3-12(4-6-13)15(20)10-19-8-7-14(18-11-19)16-2-1-9-21-16;/h1-9,11H,10H2;1H/q+1;/p-1