Basic information
- CAS
53797-02-7- Standard SMILES
C[NH+]1C2CCC1[C@@H]1Cc3ccccc3C[C@H]1C2.[Cl-]- InChIKey
PKZWIEKKMRTMJC-SLMONAPUSA-N- Molecular formula
- C16H22ClN
- Average molar mass
- 263.8 g/mol
- Monoisotopic mass
- 263.1440774
Names & identifiers
- Preferred name
- 5H-Cyclohepta(b)naphthalen-6,9-imine, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, hydrochloride, (5aR-(5a-alpha,6-alpha,9-alpha,10a-beta))-
- IUPAC
- (2R,11S)-16-methyl-16-azoniatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-triene chloride
Names & synonyms
53797-02-75H-Cyclohepta(b)naphthalen-6,9-imine, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, hydrochloride, (5aR-(5a-alpha,6-alpha,9-alpha,10a-beta))-RefChem:1073438
Database identifiers
- CAS
53797-02-7- PubChem CID
- 40901
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…