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

Systemtic Name: 3-methyl-1,3-benzothiazol-3-ium-2-amine; methyl sulfate Openeye Name: 3-methyl-1,3-benzothiazol-3-ium-2-amine; methyl sulfate CAS Name: 3-methyl-1,3-benzothiazol-3-ium-2-amine; methyl sulfate IUPAC Name: 3-methyl-1,3-benzothiazol-3-ium-2-amine; methyl sulfate Traditional Name: (3-methyl-1,3-benzothiazol-3-ium-2-yl)amine; methyl sulfate Formula: C9H12N2O4S2 MolecularWeight: 276.33258

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)N.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C8H8N2S.CH4O4S/c1-10-6-4-2-3-5-7(6)11-8(10)9;1-5-6(2,3)4/h2-5,9H,1H3;1H3,(H,2,3,4)