Basic information
- CAS
67049-57-4- Standard SMILES
CC1CC[NH+](CCCOC(=O)c2ccccc2)C(C)C1.[Cl-]- InChIKey
FIJGVSGCCOCZMG-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- 3-(2,4-Dimethylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2,4-dimethylpiperidin-1-ium-1-yl)propyl benzoate chloride
Names & synonyms
67049-57-4DTXSID109860033-(2,4-Dimethylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)RefChem:1066437DTXCID701413192BENZOIC ACID, 3-(2,4-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67049-57-4- PubChem CID
- 49077
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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