2-(fluoranylmethyl)-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 2-(fluoranylmethyl)-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 2-(fluoromethyl)-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 2-(fluoromethyl)-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 2-(fluoromethyl)-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 2-(fluoromethyl)-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Formula: C10H12FNO4S2 MolecularWeight: 293.334983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9FNS.CH4O4S/c1-11-7-4-2-3-5-8(7)12-9(11)6-10;1-5-6(2,3)4/h2-5H,6H2,1H3;1H3,(H,2,3,4)/q+1;/p-1