RefChem:1088813
[(2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: Mandelic acid, alpha-cyclopentyl-, 2-(3-quinuclidinylene)ethyl ester, hydrochloride|delta(sup 3,beta)-Quinuclidineethyl-alpha-cyclopentyl-alpha-phenylglycolate hydrochloride|[(2E)-2-(1-azoniabicyclo[2.2.2]oct-3-ylidene)ethyl] 2-cyclopentyl-2-hy droxy-2-phenyl-acetate chlori|[(2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate;chloride|(1-methylpiperidin-1-ium-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride|[(2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride|[(2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate,chloride
| Molecular Formula | C22H30ClNO3 |
|---|---|
| Molecular Weight | 391.1914 g/mol |
| LogP | -1.1535 |
| Topological Polar Surface Area | 50.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.1914 |
| Monoisotopic Mass | 391.1914 |
| Heavy Atoms | 27 |
| Complexity | 663.39526 |
Chemical Identifiers
| CAS Number | 101710-89-8 |
|---|---|
| SMILES | C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC/C=C\3/C[NH+]4CCC3CC4)O.[Cl-] |
Product Overview
RefChem:1088813 (CAS 101710-89-8), with molecular formula C22H30ClNO3 and molecular weight 391.1914 g/mol. IUPAC: [(2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride.
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