Basic information
- CAS
67032-19-3- Standard SMILES
CC1CCC[NH+](CC(C)OC(=O)c2ccccc2)C1.[Cl-]- InChIKey
FBTBKQSLFCOWMF-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO2
- Average molar mass
- 297.82 g/mol
- Monoisotopic mass
- 297.1495567
Names & identifiers
- Preferred name
- 1-(3-Methylpiperidin-1-yl)propan-2-yl benzoate--hydrogen chloride (1/1)
- IUPAC
- 1-(3-methylpiperidin-1-ium-1-yl)propan-2-yl benzoate chloride
Names & synonyms
67032-19-3DTXSID409859631-(3-Methylpiperidin-1-yl)propan-2-yl benzoate--hydrogen chloride (1/1)RefChem:1054215DTXCID301413152alpha-Methyl-beta-(3-methylpiperidino)ethyl benzoate hydrochlorideBENZOIC ACID, (1-METHYL-2-(3-METHYLPIPERIDINO)ETHYL) ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67032-19-3- PubChem CID
- 48995
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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