2,5,6-trimethyl-3-(3-sulfooxypropyl)benzothiazole

Molecular Formula: C₁₃H₁₈NO₄S₂⁺

InChI: InChI=1/C13H17NO4S2/c1-9-7-12-13(8-10(9)2)19-11(3)14(12)5-4-6-18-20(15,16)17/h7-8H,4-6H2,1-3H3/p+1/fC13H18NO4S2/h15H/q+1

InChIKey: InChIKey=IEMOWXZEHDESAP-AZTIGAGSCS
SMILES: CC1=CC2=C(C=C1C)SC(=[N+]2CCCOS(=O)(=O)O)C

Names:
    NCIStruc2_001743
    2,5,6-trimethyl-3-(3-sulfooxypropyl)benzothiazole

Registries:
    PubChem CID 420272
    PubChem ID 11461143