Basic information
- CAS
51805-84-6- Standard SMILES
CC(=O)O[C@H]1c2ccccc2[C@H]2CC3CCC([C@H]21)[NH+]3C.CS(=O)(=O)[O-]- InChIKey
ROXGBSRMAIYOPW-NNBNZNNYSA-N- Molecular formula
- C18H25NO5S
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.14534407
Names & identifiers
- Preferred name
- Methanesulfonic acid--11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-10-yl acetate (1/1)
- IUPAC
- methanesulfonate;[(2S,3R,10S)-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-trien-3-yl] acetate
Names & synonyms
DTXSID00966132Methanesulfonic acid--11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-10-yl acetate (1/1)RefChem:1089077DTXCID60139378151805-84-6Benz(a)azulen-6,9-imin-10-ol, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, acetate (ester), methanesulfonate (salt), (4bS-(4b-alpha,6-beta,9-beta,9a-alpha,10-beta))-
Database identifiers
- CAS
51805-84-6- PubChem CID
- 40134
Properties
Computed structural properties
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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