Basic information
- CAS
51829-77-7- Standard SMILES
C[NH+]1C2CCC1[C@H]1Cc3ccccc3[C@H]1C2.[Cl-]- InChIKey
CZBPGVYISOGLEB-VVNYJQLFSA-N- Molecular formula
- C15H20ClN
- Average molar mass
- 249.78 g/mol
- Monoisotopic mass
- 249.1284273
Names & identifiers
- Preferred name
- 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)
- IUPAC
- (2S,10S)-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene chloride
Names & synonyms
51829-77-7DTXSID9096616111-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)RefChem:1057374DTXCID201393810(1R,3S,4aS,9as)-1,2,3,4,4a,9a-hexahydro-2-methyl-9H-1,3-ethanoindeno(2,1-c)pyridineBenz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, hydrochloride, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-51829-78-8Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, hydrochloride, (4br-(4b-alpha,6-beta,9-beta,9a-alpha))-
Database identifiers
- CAS
51829-77-7、51829-78-8- PubChem CID
- 40141
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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