RefChem:351923

(9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;4-methylbenzenesulfonate

Also Known As: AC1L1PRJ|RefChem:351923|AC1Q22ML|CEIUXLKAIQCBFX-UHFFFAOYSA-N|9-Methyl-3-alpha-granatanyl phenylcyclopentylglycolate-p-toluene-sulfonate|Mandelic acid, alpha-cyclopentyl-, 9-methyl-9-azabicyclo(3.3.1)non-3-alpha-yl ester, p-toluenesulfonate|(9-Methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;4-methylbenzenesulfonate|(9-Methyl-9-azoniabicyclo[3.3.1]nonan-7-yl)2-cyclopentyl-2-hydroxy-2-phenylacetate; 4-methylbenzenesulfonate|3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-9-methyl-9-azoniabicyclo[3.3.1]nonane 4-methylbenzenesulfonate|9-Methyl-3-alpha-granatanylphenylcyclopentylglycolate-p-toluene-sulfonate|MANDELIC ACID, alpha-CYCLOPENTYL-, 9-METHYL-9-AZABICYCLO(3.3.1)NON-3-alpha-YL ES|(9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate,4-methylbenzenesulfonate|(9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate; 4-methylbenzenesulfonate

Molecular Formula	C29H39NO6S
Molecular Weight	529.2498 g/mol
LogP	3.1
Topological Polar Surface Area	108.17 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	529.2498
Heavy Atoms	37
Complexity	1132.7

Chemical Identifiers

CAS Number	101710-84-3
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]1C2CCCC1CC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O