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

Systemtic Name: methyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate bromide Openeye Name: methyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid methyl ester bromide Formula: C10H10BrNO2S MolecularWeight: 288.1609

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C10H10NO2S.BrH/c1-13-10(12)6-11-7-14-9-5-3-2-4-8(9)11;/h2-5,7H,6H2,1H3;1H/q+1;/p-1