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The molecular formula of the compound is C18H25ClNO3.
The IUPAC name of the compound is (1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl2-hydroxy-3-methyl-2-phenylbutanoate chloride.
The molecular weight of the compound is 338.8 g/mol.
The InChI key of the compound is XUJGQKXNYMRRAN-UHFFFAOYSA-M.
The canonical SMILES of the compound is CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CCN(CC2)C)O.[Cl-].
The compound has 1 hydrogen bond donor count.
The compound has 5 hydrogen bond acceptor counts.
The compound has 6 rotatable bond counts.
The topological polar surface area of the compound is 49.8?2.
Yes, the compound is canonicalized.
93101-70-3
93101-74-7
93101-75-8
93102-97-7
93103-00-5
93103-15-2
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![1-Azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-2,2-di(phenyl)acetate](https://resource.alfa-chemistry.com/structure/93101-70-3.gif)
![1-Azabicyclo[2.2.2]oct-2-en-3-ylmethyl2-cyclopenten-1-yl-2-hydroxy-2-phenylacetate](https://resource.alfa-chemistry.com/structure/93101-74-7.gif)
![1-Azabicyclo[2.2.2]oct-2-en-3-ylmethyl2-hydroxy-3-methyl-2-phenylbut-3-enoate](https://resource.alfa-chemistry.com/structure/93101-75-8.gif)
