4-methylbenzenesulfonate; trimethyl-[[(2R)-2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl]carbonylamino]azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[[(2R)-2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl]carbonylamino]azanium Openeye Name: [[(2R)-6-hydroxy-2,5,7,8-tetramethyl-chromane-2-carbonyl]amino]-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-oxomethyl]amino]-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: [[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: [[(2R)-6-hydroxy-2,5,7,8-tetramethyl-chroman-2-carbonyl]amino]-trimethyl-ammonium tosylate Formula: C24H34N2O6S MolecularWeight: 478.60156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C2CCC(OC2=C1C)(C)C(=O)N[N+](C)(C)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C2CC[C@](OC2=C1C)(C)C(=O)N[N+](C)(C)C)C)O

InChI

InChI=1S/C17H26N2O3.C7H8O3S/c1-10-11(2)15-13(12(3)14(10)20)8-9-17(4,22-15)16(21)18-19(5,6)7;1-6-2-4-7(5-3-6)11(8,9)10/h8-9H2,1-7H3,(H-,18,20,21);2-5H,1H3,(H,8,9,10)/t17-;/m1./s1