Basic information
- CAS
98694-58-7- Standard SMILES
CCC(=O)OC1(C(C)=O)CC[NH+](C)CC1.[Cl-]- InChIKey
DXJJIOAMJGDXNY-UHFFFAOYSA-N- Molecular formula
- C11H20ClNO3
- Average molar mass
- 249.73 g/mol
- Monoisotopic mass
- 249.1131712
Names & identifiers
- Preferred name
- Ethanone, 1-(1-methyl-4-(1-oxopropoxy)-4-piperidinyl)-, hydrochloride
- IUPAC
- (4-acetyl-1-methylpiperidin-1-ium-4-yl) propanoate chloride
Names & synonyms
98694-58-7ETHANONE, 1-(1-METHYL-4-(1-OXOPROPOXY)-4-PIPERIDINYL)-, HYDROCHLORIDERefChem:10845101-Methyl-4-acetyl-4-propionyloxypiperidine hydrochloride1-(1-Methyl-4-(1-oxopropoxy)-4-piperidinyl)ethanone hydrochloride
Database identifiers
- CAS
98694-58-7- PubChem CID
- 57433
Properties
Computed structural properties
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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