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

Systemtic Name: 1-ethyl-3-methylsulfanyl-N-phenyl-quinolin-1-ium-4-amine; methyl sulfate Openeye Name: 1-ethyl-3-methylsulfanyl-N-phenyl-quinolin-1-ium-4-amine; methyl sulfate CAS Name: 1-ethyl-3-(methylthio)-N-phenyl-4-quinolin-1-iumamine; methyl sulfate IUPAC Name: 1-ethyl-3-methylsulfanyl-N-phenylquinolin-1-ium-4-amine; methyl sulfate Traditional Name: [1-ethyl-3-(methylthio)quinolin-1-ium-4-yl]-phenyl-amine; methyl sulfate Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2S.CH4O4S/c1-3-20-13-17(21-2)18(15-11-7-8-12-16(15)20)19-14-9-5-4-6-10-14;1-5-6(2,3)4/h4-13H,3H2,1-2H3;1H3,(H,2,3,4)