2-(2-azanyl-1,3-thiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-1,3-thiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(2-aminothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(2-amino-3-thiazol-3-iumyl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-1,3-thiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(2-aminothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C12H13BrN2O2S MolecularWeight: 329.21282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O2S.BrH/c1-16-10-4-2-9(3-5-10)11(15)8-14-6-7-17-12(14)13;/h2-7,13H,8H2,1H3;1H