Basic information
- CAS
57495-73-5- Standard SMILES
C[NH+]1[C@H]2CC[C@@H]1[C@@H]1C(=O)c3ccccc3C[C@@H]1C2.[Cl-]- InChIKey
MGDXTPDCVRWLGB-DHGOQAQZSA-N- Molecular formula
- C16H20ClNO
- Average molar mass
- 277.79 g/mol
- Monoisotopic mass
- 277.123342
Names & identifiers
- Preferred name
- 5H-Cyclohepta(b)naphthalen-6,9-imin-5-one, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, hydrochloride, (5aR-(5a-alpha,6-alpha,9-alpha,10a-alpha))-
- IUPAC
- (1R,2R,11R,13S)-16-methyl-16-azoniatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-trien-3-one chloride
Names & synonyms
5H-Cyclohepta(b)naphthalen-6,9-imin-5-one, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, hydrochloride, (5aR-(5a-alpha,6-alpha,9-alpha,10a-alpha))-57495-73-5RefChem:305396
Database identifiers
- CAS
57495-73-5- PubChem CID
- 42391
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…