RefChem:1055871
(1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate chloride
Also Known As: AC1L1XUB|RefChem:1055871|JB 344|1-Methyl-3-piperidyl-alpha-(2-thienyl)mandelate hydrochloride|MANDELIC ACID, alpha-(2-THIENYL)-, 1-METHYL-3-PIPERIDYL ESTER, HYDROCHLORIDE|(1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate chloride|(1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetatechloride|(1-Methylpiperidin-1-ium-3-yl)2-hydroxy-2-phenyl-2-thiophen-2-ylacetatechloride|1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate--hydrogen chloride (1/1)|2-Thiopheneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, 1-methyl-3-piperidinyl ester, hydrochloride
| Molecular Formula | C18H22ClNO3S |
|---|---|
| Molecular Weight | 367.1009 g/mol |
| LogP | -1.79 |
| Topological Polar Surface Area | 50.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1009 |
| Heavy Atoms | 24 |
| Complexity | 649.5 |
Chemical Identifiers
| CAS Number | 36616-49-6 |
|---|---|
| SMILES | C[NH+]1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Cl-] |
Product Overview
RefChem:1055871 (CAS 36616-49-6), with molecular formula C18H22ClNO3S and molecular weight 367.1009 g/mol. IUPAC: (1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate chloride.
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