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

Systemtic Name: methyl 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoate Openeye Name: methyl 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetate CAS Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetate Traditional Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid methyl ester Formula: C11H12NO2S+ MolecularWeight: 222.28348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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