2-(2-butanoyloxypropanoyloxy)ethyl-trimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-(2-butanoyloxypropanoyloxy)ethyl-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-(2-butanoyloxypropanoyloxy)ethyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; trimethyl-[2-[1-oxo-2-(1-oxobutoxy)propoxy]ethyl]ammonium IUPAC Name: 2-(2-butanoyloxypropanoyloxy)ethyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(2-butyryloxypropanoyloxy)ethyl-trimethyl-ammonium tosylate Formula: C19H31NO7S MolecularWeight: 417.51694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C(=O)OCC[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC(=O)OC(C)C(=O)OCC[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H24NO4.C7H8O3S/c1-6-7-11(14)17-10(2)12(15)16-9-8-13(3,4)5;1-6-2-4-7(5-3-6)11(8,9)10/h10H,6-9H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1