Basic information
- CAS
67031-92-9- Standard SMILES
CC1CCCC[NH+]1CCCCCCOC(=O)c1ccccc1.[Cl-]- InChIKey
SVYBISGWYUDILS-UHFFFAOYSA-N- Molecular formula
- C19H30ClNO2
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.1965069
Names & identifiers
- Preferred name
- Benzoic acid, 6-(2-methylpiperidino)hexyl ester, hydrochloride
- IUPAC
- 6-(2-methylpiperidin-1-ium-1-yl)hexyl benzoate chloride
Names & synonyms
BENZOIC ACID, 6-(2-METHYLPIPERIDINO)HEXYL ESTER, HYDROCHLORIDE67031-92-9RefChem:1079210
Database identifiers
- CAS
67031-92-9- PubChem CID
- 48960
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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