2-butanoyloxyethyl(trimethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-butanoyloxyethyl(trimethyl)azanium; 4-methylbenzenesulfonate Openeye Name: 2-butanoyloxyethyl(trimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; trimethyl-[2-(1-oxobutoxy)ethyl]ammonium IUPAC Name: 2-butanoyloxyethyl(trimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: 2-butyryloxyethyl(trimethyl)ammonium tosylate Formula: C16H27NO5S MolecularWeight: 345.45428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20NO2.C7H8O3S/c1-5-6-9(11)12-8-7-10(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1