Benzoic acid, 3-(2-(1-ethylpropyl)piperidino)propyl ester, hydrochloride
Basic information
- CAS
67049-66-5- Standard SMILES
CCC(CC)C1CCCC[NH+]1CCCOC(=O)c1ccccc1.[Cl-]- InChIKey
IXQHVQFLGPVDKI-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO2
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.212157
Names & identifiers
- Preferred name
- Benzoic acid, 3-(2-(1-ethylpropyl)piperidino)propyl ester, hydrochloride
- IUPAC
- 3-(2-pentan-3-ylpiperidin-1-ium-1-yl)propyl benzoate chloride
Names & synonyms
BENZOIC ACID, 3-(2-(1-ETHYLPROPYL)PIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67049-66-5RefChem:327129
Database identifiers
- CAS
67049-66-5- PubChem CID
- 49087
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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