methanesulfonate; 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium

Systemtic Name: methanesulfonate; 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium Openeye Name: methanesulfonate; 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium CAS Name: methanesulfonate; 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium IUPAC Name: methanesulfonate; 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium mesylate Formula: C10H13NO3S3 MolecularWeight: 291.41012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10NS2.CH4O3S/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;1-5(2,3)4/h3-6H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1