Basic information
- CAS
53758-00-2- Standard SMILES
C[NH+]1C2CCC1[C@H]1Cc3ccc(O)cc3[C@H]1C2.[Br-]- InChIKey
AYCUPWXMHHYNSC-HQYIRDQCSA-N- Molecular formula
- C15H20BrNO
- Average molar mass
- 310.23 g/mol
- Monoisotopic mass
- 309.07283
Names & identifiers
- Preferred name
- 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-3-ol--hydrogen bromide (1/1)
- IUPAC
- (2S,10S)-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-7-ol bromide
Names & synonyms
DTXSID3096852311-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-3-ol--hydrogen bromide (1/1)RefChem:1057372DTXCID10139609753758-00-2Benz(a)azulen-6,9-imin-3-ol, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, hydrobromide, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-
Database identifiers
- CAS
53758-00-2- PubChem CID
- 40872
Properties
Computed structural properties
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 2
- 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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