Basic information
- CAS
67032-18-2- Standard SMILES
CC(C[NH+]1CCCCC1C)OC(=O)c1ccccc1.[Cl-]- InChIKey
POQTUSRMNOKBHJ-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO2
- Average molar mass
- 297.82 g/mol
- Monoisotopic mass
- 297.1495567
Names & identifiers
- Preferred name
- 1-(2-Methylpiperidin-1-yl)propan-2-yl benzoate--hydrogen chloride (1/1)
- IUPAC
- 1-(2-methylpiperidin-1-ium-1-yl)propan-2-yl benzoate chloride
Names & synonyms
67032-18-2DTXSID809859621-(2-Methylpiperidin-1-yl)propan-2-yl benzoate--hydrogen chloride (1/1)RefChem:1054028DTXCID601413151BENZOIC ACID, 1-METHYL-2-(2-METHYLPIPERIDINO)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67032-18-2- PubChem CID
- 48994
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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