4-chloranyl-1-methyl-N-(2-methylphenyl)quinolin-1-ium-3-sulfonamide; methyl sulfate

Systemtic Name: 4-chloranyl-1-methyl-N-(2-methylphenyl)quinolin-1-ium-3-sulfonamide; methyl sulfate Openeye Name: 4-chloro-1-methyl-N-(o-tolyl)quinolin-1-ium-3-sulfonamide; methyl sulfate CAS Name: 4-chloro-1-methyl-N-(2-methylphenyl)-3-quinolin-1-iumsulfonamide; methyl sulfate IUPAC Name: 4-chloro-1-methyl-N-(2-methylphenyl)quinolin-1-ium-3-sulfonamide; methyl sulfate Traditional Name: 4-chloro-1-methyl-N-(o-tolyl)quinolin-1-ium-3-sulfonamide; methyl sulfate Formula: C18H19ClN2O6S2 MolecularWeight: 458.93626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=C(C3=CC=CC=C3[N+](=C2)C)Cl.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=C(C3=CC=CC=C3[N+](=C2)C)Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H16ClN2O2S.CH4O4S/c1-12-7-3-5-9-14(12)19-23(21,22)16-11-20(2)15-10-6-4-8-13(15)17(16)18;1-5-6(2,3)4/h3-11,19H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1