Basic information
- CAS
15923-06-5- Standard SMILES
COc1ccc2c(c1)C1=C(CCN(C)CC1)[NH+]2C.[Cl-]- InChIKey
PNGKUOUIQOVSAP-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2O
- Average molar mass
- 280.79 g/mol
- Monoisotopic mass
- 280.134241
Names & identifiers
- Preferred name
- Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methoxy-3,6-dimethyl-, monohydrochloride
- IUPAC
- 9-methoxy-3,6-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-6-ium chloride
Names & synonyms
15923-06-5Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methoxy-3,6-dimethyl-, monohydrochlorideRefChem:10773981,2,3,4,5,6-Hexahydro-9-methoxy-3,6-dimethyl-azepino(4,5-b)indole hydrochloride
Database identifiers
- CAS
15923-06-5- PubChem CID
- 27554
Properties
Computed structural properties
- Topological polar surface area
- 16.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…