Basic information
- CAS
67114-22-1- Standard SMILES
CC1CC[NH+](CC(C)(C)COC(=O)c2ccccc2)CC1.[Cl-]- InChIKey
YZCMOBHZFGELIY-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
- IUPAC
- [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride
Names & synonyms
67114-22-1DTXSID309861462,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)RefChem:1059120DTXCID801413333BENZOIC ACID, 2,2-DIMETHYL-3-(4-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67114-22-1- PubChem CID
- 49367
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
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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