Basic information
- CAS
98694-59-8- Standard SMILES
CC(=O)C1(OC(=O)c2ccccc2)CC[NH+](C)CC1.[Cl-]- InChIKey
CDIAWKHQHCHXPX-UHFFFAOYSA-N- Molecular formula
- C15H20ClNO3
- Average molar mass
- 297.78 g/mol
- Monoisotopic mass
- 297.1131712
Names & identifiers
- Preferred name
- Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride
- IUPAC
- (4-acetyl-1-methylpiperidin-1-ium-4-yl) benzoate chloride
Names & synonyms
98694-59-8ETHANONE, 1-(4-(BENZOYLOXY)-1-METHYL-4-PIPERIDINYL)-, HYDROCHLORIDERefChem:10845311-Methyl-4-acetyl-4-benzoyloxypiperidine hydrochloride1-(4-(Benzoyloxy)-1-methyl-4-piperidinyl)ethanone hydrochloride(4-Acetyl-1-methylpiperidin-1-ium-4-yl)benzoate chlorideCID57435, LS-67156, 1-Methyl-4-acetyl-4-benzoyloxypiperidine hydrochloride, 1-(4-(Benzoyloxy)-1-methyl-4-piperidinyl)ethanone hydrochloride, ETHANONE, 1-(4-(BENZOYLOXY)-1-METHYL-4-PIPERIDINYL)-, HYDROCHLORIDE, 98694-59-8
Database identifiers
- CAS
98694-59-8- PubChem CID
- 57435
Properties
Computed structural properties
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…