methyl 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoate bromide

Systemtic Name: methyl 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoate bromide Openeye Name: methyl 2-(4,5-dimethylthiazol-3-ium-3-yl)acetate bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)acetate bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)acetic acid methyl ester bromide Formula: C8H12BrNO2S MolecularWeight: 266.15538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)OC)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)OC)C.[Br-]

InChI

InChI=1S/C8H12NO2S.BrH/c1-6-7(2)12-5-9(6)4-8(10)11-3;/h5H,4H2,1-3H3;1H/q+1;/p-1