4-methylbenzenesulfonate; trimethyl-(2-oxidanyl-3-oxidanylidene-pentyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-(2-oxidanyl-3-oxidanylidene-pentyl)azanium Openeye Name: (2-hydroxy-3-oxo-pentyl)-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: (2-hydroxy-3-oxopentyl)-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: (2-hydroxy-3-oxopentyl)-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: (2-hydroxy-3-keto-pentyl)-trimethyl-ammonium tosylate Formula: C15H25NO5S MolecularWeight: 331.4277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18NO2.C7H8O3S/c1-5-7(10)8(11)6-9(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h8,11H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1