Basic information
- CAS
101710-91-2- Standard SMILES
O=C(OCC1=C[NH+]2CCC1CC2)C(O)(c1ccccc1)C1CC1.[Cl-]- InChIKey
QWIMXOBLUMSMPE-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO3
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.1444713
Names & identifiers
- Preferred name
- Mandelic acid, alpha-cyclopropyl-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester, hydrochloride
- IUPAC
- 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopropyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
Mandelic acid, alpha-cyclopropyl-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester, hydrochloride3-(1-Azabicyclo(2.2.2)oct-2-ene)methyl alpha-cyclopropyl-alpha-phenylglycolate hydrochloride101710-91-2RefChem:351925
Database identifiers
- CAS
101710-91-2- PubChem CID
- 58796
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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