4-methylbenzenesulfonate; trimethyl-[[(2S,4R,5S)-5-methyl-4-oxidanyl-oxolan-2-yl]methyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[[(2S,4R,5S)-5-methyl-4-oxidanyl-oxolan-2-yl]methyl]azanium Openeye Name: [(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [(2S,4R,5S)-4-hydroxy-5-methyl-2-oxolanyl]methyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: [(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: [(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium tosylate Formula: C16H27NO5S MolecularWeight: 345.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)C[N+](C)(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H20NO2.C7H8O3S/c1-7-9(11)5-8(12-7)6-10(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h7-9,11H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t7-,8-,9+;/m0./s1