Basic information
- CAS
53758-02-4- Standard SMILES
C[NH+]1C2CCC1[C@H]1Cc3cc(F)ccc3[C@H]1C2.[Cl-]- InChIKey
ONAYRCCCIHMAGX-VVNYJQLFSA-N- Molecular formula
- C15H19ClFN
- Average molar mass
- 267.77 g/mol
- Monoisotopic mass
- 267.1190055
Names & identifiers
- Preferred name
- 2-Fluoro-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene--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-triene chloride
Names & synonyms
53758-02-4DTXSID509685252-Fluoro-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)RefChem:1063095DTXCID501396099Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-2-fluoro-11-methyl-, hydrochloride, (4bS-(4b-alpha,6-beta,9-beta,9a-alpha))-
Database identifiers
- CAS
53758-02-4- PubChem CID
- 40876
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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