N,1-dimethyl-4-(methylamino)quinolin-1-ium-3-sulfonamide; methyl sulfate

Systemtic Name: N,1-dimethyl-4-(methylamino)quinolin-1-ium-3-sulfonamide; methyl sulfate Openeye Name: N,1-dimethyl-4-(methylamino)quinolin-1-ium-3-sulfonamide; methyl sulfate CAS Name: N,1-dimethyl-4-(methylamino)-3-quinolin-1-iumsulfonamide; methyl sulfate IUPAC Name: N,1-dimethyl-4-(methylamino)quinolin-1-ium-3-sulfonamide; methyl sulfate Traditional Name: N,1-dimethyl-4-(methylamino)quinolin-1-ium-3-sulfonamide; methyl sulfate Formula: C13H19N3O6S2 MolecularWeight: 377.43646

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=[N+](C2=CC=CC=C21)C)S(=O)(=O)NC.COS(=O)(=O)[O-]

Isomeric SMILES

CNC1=C(C=[N+](C2=CC=CC=C21)C)S(=O)(=O)NC.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H15N3O2S.CH4O4S/c1-13-12-9-6-4-5-7-10(9)15(3)8-11(12)18(16,17)14-2;1-5-6(2,3)4/h4-8,14H,1-3H3;1H3,(H,2,3,4)