Basic information
- CAS
58323-10-7- Standard SMILES
CC(=O)[N+]1([C@@H]2C(=O)CC[C@]3(C)c4cc(C)ccc4O[C@H]23)CCN(CCC(N)=O)CC1.Cl- InChIKey
DAVMMSSUQHAKJC-UDKBZEQTSA-O- Molecular formula
- C23H33ClN3O4+
- Average molar mass
- 451 g/mol
- Monoisotopic mass
- 450.2159592
Names & identifiers
- Preferred name
- 1-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-
- IUPAC
- 3-[4-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-4-acetylpiperazin-4-ium-1-yl]propanamide;hydrochloride
Names & synonyms
58323-10-71-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-
Database identifiers
- CAS
58323-10-7- PubChem CID
- 3045114
Properties
Computed structural properties
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 1
- Complexity
- 717
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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