Basic information
- CAS
53758-01-3- Standard SMILES
C[NH+]1C2CCC1[C@H]1C(=O)c3cc(F)ccc3[C@H]1C2.[Cl-]- InChIKey
DQUWRVHVHUFUMY-QAGGGSJQSA-N- Molecular formula
- C15H17ClFNO
- Average molar mass
- 281.75 g/mol
- Monoisotopic mass
- 281.09827
Names & identifiers
- Preferred name
- 2-Fluoro-11-methyl-5,6,7,8,9,9a-hexahydro-6,9-epiminobenzo(a)azulen-10(4bH)-one--hydrogen chloride (1/1)
- IUPAC
- (2S,10S)-6-fluoro-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one chloride
Names & synonyms
53758-01-3DTXSID909685242-Fluoro-11-methyl-5,6,7,8,9,9a-hexahydro-6,9-epiminobenzo(a)azulen-10(4bH)-one--hydrogen chloride (1/1)RefChem:1063096DTXCID801396098Benz(a)azulen-6,9-imin-10(4bh)-one, 5,6,7,8,9,9a-hexahydro-2-fluoro-11-methyl-, hydrochloride(4bS-(4b-alpha,6-beta,9-beta, 9a-alpha))-
Database identifiers
- CAS
53758-01-3- PubChem CID
- 40874
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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