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

Systemtic Name: 3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 3-methyl-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 3-methyl-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Formula: C9H11NO4S2 MolecularWeight: 261.31794

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CSC2=CC=CC=C21.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CSC2=CC=CC=C21.COS(=O)(=O)[O-]

InChI

InChI=1S/C8H8NS.CH4O4S/c1-9-6-10-8-5-3-2-4-7(8)9;1-5-6(2,3)4/h2-6H,1H3;1H3,(H,2,3,4)/q+1;/p-1