2-(4,5-dihydro-1,3-thiazol-3-ium-3-yl)-1-(2,4-dimethoxyphenyl)ethanone bromide

Systemtic Name: 2-(4,5-dihydro-1,3-thiazol-3-ium-3-yl)-1-(2,4-dimethoxyphenyl)ethanone bromide Openeye Name: 2-(4,5-dihydrothiazol-3-ium-3-yl)-1-(2,4-dimethoxyphenyl)ethanone bromide CAS Name: 2-(4,5-dihydrothiazol-3-ium-3-yl)-1-(2,4-dimethoxyphenyl)ethanone bromide IUPAC Name: 2-(4,5-dihydro-1,3-thiazol-3-ium-3-yl)-1-(2,4-dimethoxyphenyl)ethanone bromide Traditional Name: 1-(2,4-dimethoxyphenyl)-2-(2-thiazolin-3-ium-3-yl)ethanone bromide Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C[N+]2=CSCC2)OC.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C[N+]2=CSCC2)OC.[Br-]

InChI

InChI=1S/C13H16NO3S.BrH/c1-16-10-3-4-11(13(7-10)17-2)12(15)8-14-5-6-18-9-14;/h3-4,7,9H,5-6,8H2,1-2H3;1H/q+1;/p-1