4-chloranyl-1-methyl-3-(methylsulfonylmethyl)quinolin-1-ium; methyl sulfate

Systemtic Name: 4-chloranyl-1-methyl-3-(methylsulfonylmethyl)quinolin-1-ium; methyl sulfate Openeye Name: 4-chloro-1-methyl-3-(methylsulfonylmethyl)quinolin-1-ium; methyl sulfate CAS Name: 4-chloro-1-methyl-3-(methylsulfonylmethyl)quinolin-1-ium; methyl sulfate IUPAC Name: 4-chloro-1-methyl-3-(methylsulfonylmethyl)quinolin-1-ium; methyl sulfate Traditional Name: 4-chloro-3-(mesylmethyl)-1-methyl-quinolin-1-ium; methyl sulfate Formula: C13H16ClNO6S2 MolecularWeight: 381.85224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClNO2S.CH4O4S/c1-14-7-9(8-17(2,15)16)12(13)10-5-3-4-6-11(10)14;1-5-6(2,3)4/h3-7H,8H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1