2,3-dimethyl-1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 2,3-dimethyl-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 2,3-dimethyl-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 2,3-dimethyl-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 2,3-dimethyl-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 2,3-dimethyl-1,3-benzothiazol-3-ium; methyl sulfate Formula: C10H13NO4S2 MolecularWeight: 275.34452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C9H10NS.CH4O4S/c1-7-10(2)8-5-3-4-6-9(8)11-7;1-5-6(2,3)4/h3-6H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1