Basic information
- CAS
15991-51-2- Standard SMILES
CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)C(c2ccccc2)c2ccccc2)CC1.[Cl-]- InChIKey
FSNVODMKTHKAHE-UHFFFAOYSA-N- Molecular formula
- C29H32ClNO3
- Average molar mass
- 478 g/mol
- Monoisotopic mass
- 477.2070716
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-(3,3-diphenyl-2-oxopropyl)-4-phenyl-, ethyl ester, hydrochloride
- IUPAC
- ethyl 1-(2-oxo-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
Isonipecotic acid, 1-(3,3-diphenyl-2-oxopropyl)-4-phenyl-, ethyl ester, hydrochloride15991-51-2RefChem:10876391-(3,3-Diphenyl-2-propanonyl)-4-phenylisonipecotic acid ethyl ester hydrochloride
Database identifiers
- CAS
15991-51-2- PubChem CID
- 27604
Properties
Computed structural properties
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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