1-(3,4-dimethoxyphenyl)-2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[4-(2-furyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-[4-(2-furanyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[4-(2-furyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C18H17BrN2O4 MolecularWeight: 405.24258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CO3)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CO3)OC.[Br-]

InChI

InChI=1S/C18H17N2O4.BrH/c1-22-17-6-5-13(10-18(17)23-2)15(21)11-20-8-7-14(19-12-20)16-4-3-9-24-16;/h3-10,12H,11H2,1-2H3;1H/q+1;/p-1