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

Systemtic Name: methyl 2-(1,3-thiazol-3-ium-3-yl)ethanoate bromide Openeye Name: methyl 2-thiazol-3-ium-3-ylacetate bromide CAS Name: 2-(3-thiazol-3-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(1,3-thiazol-3-ium-3-yl)acetate bromide Traditional Name: 2-thiazol-3-ium-3-ylacetic acid methyl ester bromide Formula: C6H8BrNO2S MolecularWeight: 238.10222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CSC=C1.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=CSC=C1.[Br-]

InChI

InChI=1S/C6H8NO2S.BrH/c1-9-6(8)4-7-2-3-10-5-7;/h2-3,5H,4H2,1H3;1H/q+1;/p-1