Basic information
- CAS
36616-48-5- Standard SMILES
C[NH+]1CCCC(OC(=O)C(O)(c2ccccc2)C2CCCCC2)C1.[Cl-]- InChIKey
LBKCCRHBZAWYOP-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO3
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1914215
Names & identifiers
- Preferred name
- MANDELIC ACID, alpha-CYCLOHEXYL-, 1-METHYL-3-PIPERIDYL ESTER, HYDROCHLORIDE
- IUPAC
- (1-methylpiperidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
MANDELIC ACID, alpha-CYCLOHEXYL-, 1-METHYL-3-PIPERIDYL ESTER, HYDROCHLORIDENSC 1722431-Methyl-3-piperidyl alpha-cyclohexylmandelate hydrochlorideBenzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 1-methyl-3-piperidinyl ester, hydrochloride (VAN)
Database identifiers
- CAS
36616-48-5- PubChem CID
- 37491
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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