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

Systemtic Name: N,1-dimethyl-3-methylsulfanyl-N-phenyl-quinolin-1-ium-4-amine; methyl sulfate Openeye Name: N,1-dimethyl-3-methylsulfanyl-N-phenyl-quinolin-1-ium-4-amine; methyl sulfate CAS Name: N,1-dimethyl-3-(methylthio)-N-phenyl-4-quinolin-1-iumamine; methyl sulfate IUPAC Name: N,1-dimethyl-3-methylsulfanyl-N-phenylquinolin-1-ium-4-amine; methyl sulfate Traditional Name: methyl-[1-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N2S.CH4O4S/c1-19-13-17(21-3)18(15-11-7-8-12-16(15)19)20(2)14-9-5-4-6-10-14;1-5-6(2,3)4/h4-13H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1