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

Systemtic Name: methyl 2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)ethanoate bromide Openeye Name: methyl 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetate bromide CAS Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetate bromide Traditional Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetic acid methyl ester bromide Formula: C10H11BrN2O2S MolecularWeight: 303.17554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=C(SC2=CC=CC=C21)N.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=C(SC2=CC=CC=C21)N.[Br-]

InChI

InChI=1S/C10H10N2O2S.BrH/c1-14-9(13)6-12-7-4-2-3-5-8(7)15-10(12)11;/h2-5,11H,6H2,1H3;1H