1-(3,5-dimethoxyphenyl)-2-(1,3-oxazol-3-ium-3-yl)ethanone bromide

Systemtic Name: 1-(3,5-dimethoxyphenyl)-2-(1,3-oxazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(3,5-dimethoxyphenyl)-2-oxazol-3-ium-3-yl-ethanone bromide CAS Name: 1-(3,5-dimethoxyphenyl)-2-(3-oxazol-3-iumyl)ethanone bromide IUPAC Name: 1-(3,5-dimethoxyphenyl)-2-(1,3-oxazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(3,5-dimethoxyphenyl)-2-oxazol-3-ium-3-yl-ethanone bromide Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14NO4.BrH/c1-16-11-5-10(6-12(7-11)17-2)13(15)8-14-3-4-18-9-14;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1