1-methyl-3,4-bis(methylsulfanyl)quinolin-1-ium; methyl sulfate

Systemtic Name: 1-methyl-3,4-bis(methylsulfanyl)quinolin-1-ium; methyl sulfate Openeye Name: 1-methyl-3,4-bis(methylsulfanyl)quinolin-1-ium; methyl sulfate CAS Name: 1-methyl-3,4-bis(methylthio)quinolin-1-ium; methyl sulfate IUPAC Name: 1-methyl-3,4-bis(methylsulfanyl)quinolin-1-ium; methyl sulfate Traditional Name: 1-methyl-3,4-bis(methylthio)quinolin-1-ium; methyl sulfate Formula: C13H17NO4S3 MolecularWeight: 347.47338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14NS2.CH4O4S/c1-13-8-11(14-2)12(15-3)9-6-4-5-7-10(9)13;1-5-6(2,3)4/h4-8H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1