1-methyl-2-methylsulfanyl-quinolin-1-ium; methyl sulfate

Systemtic Name: 1-methyl-2-methylsulfanyl-quinolin-1-ium; methyl sulfate Openeye Name: 1-methyl-2-methylsulfanyl-quinolin-1-ium; methyl sulfate CAS Name: 1-methyl-2-(methylthio)quinolin-1-ium; methyl sulfate IUPAC Name: 1-methyl-2-methylsulfanylquinolin-1-ium; methyl sulfate Traditional Name: 1-methyl-2-(methylthio)quinolin-1-ium; methyl sulfate Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)SC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)SC.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H12NS.CH4O4S/c1-12-10-6-4-3-5-9(10)7-8-11(12)13-2;1-5-6(2,3)4/h3-8H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1