Basic information
- CAS
67032-07-9- Standard SMILES
CC1CC(C)[NH+](CCCOC(=O)c2ccccc2O)C(C)C1.[Cl-]- InChIKey
CNBJWXXSAPJRFH-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO3
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.1757714
Names & identifiers
- Preferred name
- 3-(2,4,6-Trimethylpiperidin-1-yl)propyl 2-hydroxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2,4,6-trimethylpiperidin-1-ium-1-yl)propyl 2-hydroxybenzoate chloride
Names & synonyms
67032-07-9DTXSID309859523-(2,4,6-Trimethylpiperidin-1-yl)propyl 2-hydroxybenzoate--hydrogen chloride (1/1)RefChem:1066427DTXCID001413141Benzoic acid, o-hydroxy-, 3-(2,4,6-trimethylpiperidino)propyl ester, hydrochlorideo-Hydroxybenzoic acid 3-(2,4,6-trimethylpiperidino)propyl ester hydrochloride
Database identifiers
- CAS
67032-07-9- PubChem CID
- 48978
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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