4-methylbenzenesulfonate; trimethyl-[(1R,2R)-2-oxidanylcyclohexyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[(1R,2R)-2-oxidanylcyclohexyl]azanium Openeye Name: [(1R,2R)-2-hydroxycyclohexyl]-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [(1R,2R)-2-hydroxycyclohexyl]-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: [(1R,2R)-2-hydroxycyclohexyl]-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: [(1R,2R)-2-hydroxycyclohexyl]-trimethyl-ammonium tosylate Formula: C16H27NO4S MolecularWeight: 329.45488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)C1CCCCC1O

Isomeric SMILES

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

InChI

InChI=1S/C9H20NO.C7H8O3S/c1-10(2,3)8-6-4-5-7-9(8)11;1-6-2-4-7(5-3-6)11(8,9)10/h8-9,11H,4-7H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t8-,9-;/m1./s1