1-methyl-3-methylsulfanyl-N-phenyl-quinolin-1-ium-4-amine; methyl sulfate

Systemtic Name: 1-methyl-3-methylsulfanyl-N-phenyl-quinolin-1-ium-4-amine; methyl sulfate Openeye Name: 1-methyl-3-methylsulfanyl-N-phenyl-quinolin-1-ium-4-amine; methyl sulfate CAS Name: 1-methyl-3-(methylthio)-N-phenyl-4-quinolin-1-iumamine; methyl sulfate IUPAC Name: 1-methyl-3-methylsulfanyl-N-phenylquinolin-1-ium-4-amine; methyl sulfate Traditional Name: [1-methyl-3-(methylthio)quinolin-1-ium-4-yl]-phenyl-amine; methyl sulfate Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C2=CC=CC=C21)NC3=CC=CC=C3)SC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC(=C(C2=CC=CC=C21)NC3=CC=CC=C3)SC.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H16N2S.CH4O4S/c1-19-12-16(20-2)17(14-10-6-7-11-15(14)19)18-13-8-4-3-5-9-13;1-5-6(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)