1-methyl-4-methylsulfanyl-quinolin-1-ium; methyl sulfate

Systemtic Name: 1-methyl-4-methylsulfanyl-quinolin-1-ium; methyl sulfate Openeye Name: 1-methyl-4-methylsulfanyl-quinolin-1-ium; methyl sulfate CAS Name: 1-methyl-4-(methylthio)quinolin-1-ium; methyl sulfate IUPAC Name: 1-methyl-4-methylsulfanylquinolin-1-ium; methyl sulfate Traditional Name: 1-methyl-4-(methylthio)quinolin-1-ium; methyl sulfate Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)SC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)SC.COS(=O)(=O)[O-]

InChI

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