Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride
Basic information
- CAS
60789-94-8- Standard SMILES
CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)c2ccccc2)CC1.[Cl-]- InChIKey
HLEVPWCWUZKNTL-UHFFFAOYSA-N- Molecular formula
- C23H28ClNO3
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.1757714
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride
- IUPAC
- ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
60789-94-8ISONIPECOTIC ACID, 1-(2-BENZOYLETHYL)-4-PHENYL-, ETHYL ESTER, HYDROCHLORIDERefChem:1087634SC-87751-(2-Benzoylethyl)-4-phenylisonipecotic acid ethyl ester hydrochloride2-(N-(4-Carbethoxy-4-phenyl)piperidino)propiophenone hydrochloridePropiophenone, 3-(N-(4'-carbethoxy-4'-phenyl)piperidino)-, hydrochloride4-Piperidinecarboxylic acid, 1-(3-oxo-3-phenylpropyl)-4-phenyl-, ethyl ester, hydrochloride
Database identifiers
- CAS
60789-94-8- PubChem CID
- 43480
Properties
Computed structural properties
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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