(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; 4-methylbenzenesulfonic acid

Systemtic Name: (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; 4-methylbenzenesulfonic acid Openeye Name: (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate; 4-methylbenzenesulfonic acid CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) ester; 4-methylbenzenesulfonic acid IUPAC Name: (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate; 4-methylbenzenesulfonic acid Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) ester; tosylic acid Formula: C29H39NO6S MolecularWeight: 529.68806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CC2CCCC(C1)C2OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CC2CCCC(C1)C2OC(=O)[C@@](C3CCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C22H31NO3.C7H8O3S/c1-23-14-16-8-7-9-17(15-23)20(16)26-21(24)22(25,19-12-5-6-13-19)18-10-3-2-4-11-18;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,10-11,16-17,19-20,25H,5-9,12-15H2,1H3;2-5H,1H3,(H,8,9,10)/t16?,17?,20?,22-;/m0./s1