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

Systemtic Name: ethyl 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoate bromide Openeye Name: ethyl 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetate bromide CAS Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetate bromide Traditional Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester bromide Formula: C12H14BrNO2S MolecularWeight: 316.21406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14NO2S.BrH/c1-3-15-12(14)8-13-9(2)16-11-7-5-4-6-10(11)13;/h4-7H,3,8H2,1-2H3;1H/q+1;/p-1