Basic information
- CAS
53757-90-7- Standard SMILES
COc1ccc2c(c1)[C@H]1CC3CCC([C@H]1C2=O)[NH+]3C.[Cl-]- InChIKey
MMLRYXBNTQWDJN-IRSBFQLPSA-N- Molecular formula
- C16H20ClNO2
- Average molar mass
- 293.79 g/mol
- Monoisotopic mass
- 293.1182566
Names & identifiers
- Preferred name
- 3-Methoxy-11-methyl-5,6,7,8,9,9a-hexahydro-6,9-epiminobenzo(a)azulen-10(4bH)-one--hydrogen chloride (1/1)
- IUPAC
- (2S,10S)-7-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one chloride
Names & synonyms
53757-90-7DTXSID809685183-Methoxy-11-methyl-5,6,7,8,9,9a-hexahydro-6,9-epiminobenzo(a)azulen-10(4bH)-one--hydrogen chloride (1/1)RefChem:1068103DTXCID601396092Benz(a)azulen-6,9-imin-10(4bh)-one, 5,6,7,8,9,9a-hexahydro-3-methoxy-11-methyl-, hydrochloride, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-
Database identifiers
- CAS
53757-90-7- PubChem CID
- 40864
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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