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

Systemtic Name: methyl 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoate bromide Openeye Name: methyl 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 methyl ester bromide IUPAC Name: methyl 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 methyl ester bromide Formula: C11H12BrNO2S MolecularWeight: 302.18748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC(=O)OC.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC(=O)OC.[Br-]

InChI

InChI=1S/C11H12NO2S.BrH/c1-8-12(7-11(13)14-2)9-5-3-4-6-10(9)15-8;/h3-6H,7H2,1-2H3;1H/q+1;/p-1