Basic information
- CAS
42023-74-5- Standard SMILES
O=C(OCc1cccc[nH+]1)C(Cc1ccccc1)Cc1ccccc1.[Cl-]- InChIKey
SHOJCTRYJJTVFK-UHFFFAOYSA-N- Molecular formula
- C22H22ClNO2
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1339066
Names & identifiers
- Preferred name
- Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride
- IUPAC
- pyridin-1-ium-2-ylmethyl 2-benzyl-3-phenylpropanoate chloride
Names & synonyms
ACETIC ACID, DIBENZYL-, 2-PYRIDYLMETHYL ESTER, HYDROCHLORIDE42023-74-5RefChem:10757892-Pyridylmethyl dibenzylacetate hydrochlorideF 1222Methanol, 2-pyridyl-, dibenzylacetate, hydrochloride
Database identifiers
- CAS
42023-74-5- PubChem CID
- 39101
Properties
Computed structural properties
- Topological polar surface area
- 40.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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