Basic information
- CAS
67031-98-5- Standard SMILES
CCCCCC1CC[NH+](CCCOC(=O)c2ccccc2)CC1.[Cl-]- InChIKey
LTENMPKXDARNHW-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO2
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.212157
Names & identifiers
- Preferred name
- Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(4-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride
Names & synonyms
BENZOIC ACID, 3-(4-PENTYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67031-98-5RefChem:1079061
Database identifiers
- CAS
67031-98-5- PubChem CID
- 48967
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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