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

Systemtic Name: 2-(2-acetyloxypropanoyloxy)ethyl-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-(2-acetoxypropanoyloxy)ethyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2-(2-acetyloxy-1-oxopropoxy)ethyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(2-acetoxypropanoyloxy)ethyl-trimethyl-ammonium tosylate Formula: C17H27NO7S MolecularWeight: 389.46378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20NO4.C7H8O3S/c1-8(15-9(2)12)10(13)14-7-6-11(3,4)5;1-6-2-4-7(5-3-6)11(8,9)10/h8H,6-7H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1