Basic information
- CAS
67031-65-6- Standard SMILES
CC1CC(C)[NH+](CCCOC(=O)c2ccccc2)C(C)C1.[Cl-]- InChIKey
JUJIDFQXIBBKTC-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- 3-(2,4,6-Trimethylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2,4,6-trimethylpiperidin-1-ium-1-yl)propyl benzoate chloride
Names & synonyms
67031-65-6DTXSID109859303-(2,4,6-Trimethylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)RefChem:1066428DTXCID801413119BENZOIC ACID, 3-(2,4,6-TRIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67031-65-6- PubChem CID
- 48925
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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