2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanoate

Systemtic Name: 2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanoate Openeye Name: 2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)acetate CAS Name: 2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)acetate IUPAC Name: 2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)acetate Traditional Name: 2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)acetate Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=[N+]2CC(=O)[O-])C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=[N+]2CC(=O)[O-])C

InChI

InChI=1S/C11H11NO2S/c1-7-4-3-5-9-11(7)12(6-10(13)14)8(2)15-9/h3-5H,6H2,1-2H3