N-methyl-N-phenyl-quinolin-1-ium-1-sulfonamide; methyl sulfate

Systemtic Name: N-methyl-N-phenyl-quinolin-1-ium-1-sulfonamide; methyl sulfate Openeye Name: N-methyl-N-phenyl-quinolin-1-ium-1-sulfonamide; methyl sulfate CAS Name: N-methyl-N-phenyl-1-quinolin-1-iumsulfonamide; methyl sulfate IUPAC Name: N-methyl-N-phenylquinolin-1-ium-1-sulfonamide; methyl sulfate Traditional Name: N-methyl-N-phenyl-quinolin-1-ium-1-sulfonamide; methyl sulfate Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)[N+]2=CC=CC3=CC=CC=C32.COS(=O)(=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)[N+]2=CC=CC3=CC=CC=C32.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H15N2O2S.CH4O4S/c1-17(15-10-3-2-4-11-15)21(19,20)18-13-7-9-14-8-5-6-12-16(14)18;1-5-6(2,3)4/h2-13H,1H3;1H3,(H,2,3,4)/q+1;/p-1