methyl 2,3-dimethyl-1,3-benzothiazol-3-ium-5-carboxylate

Systemtic Name: methyl 2,3-dimethyl-1,3-benzothiazol-3-ium-5-carboxylate Openeye Name: methyl 2,3-dimethyl-1,3-benzothiazol-3-ium-5-carboxylate CAS Name: 2,3-dimethyl-1,3-benzothiazol-3-ium-5-carboxylic acid methyl ester IUPAC Name: methyl 2,3-dimethyl-1,3-benzothiazol-3-ium-5-carboxylate Traditional Name: 2,3-dimethyl-1,3-benzothiazol-3-ium-5-carboxylic acid methyl ester Formula: C11H12NO2S+ MolecularWeight: 222.28348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C11H12NO2S/c1-7-12(2)9-6-8(11(13)14-3)4-5-10(9)15-7/h4-6H,1-3H3/q+1