2,3-bis(oxidanyl)propyl-dimethyl-(2-oxidanyloctyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: 2,3-bis(oxidanyl)propyl-dimethyl-(2-oxidanyloctyl)azanium; 4-methylbenzenesulfonate Openeye Name: 2,3-dihydroxypropyl-(2-hydroxyoctyl)-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2,3-dihydroxypropyl-(2-hydroxyoctyl)-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2,3-dihydroxypropyl-(2-hydroxyoctyl)-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: glyceryl-(2-hydroxyoctyl)-dimethyl-ammonium tosylate Formula: C20H37NO6S MolecularWeight: 419.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C[N+](C)(C)CC(CO)O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC(C[N+](C)(C)CC(CO)O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H30NO3.C7H8O3S/c1-4-5-6-7-8-12(16)9-14(2,3)10-13(17)11-15;1-6-2-4-7(5-3-6)11(8,9)10/h12-13,15-17H,4-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1