Basic information
- CAS
23901-26-0- Standard SMILES
COc1cccc2[nH]c3c(c12)CC[NH+](CCCC(=O)c1ccc(F)cc1)CC3.[Cl-]- InChIKey
OUNSUSSSSLILEX-UHFFFAOYSA-N- Molecular formula
- C23H26ClFN2O2
- Average molar mass
- 416.9 g/mol
- Monoisotopic mass
- 416.1666839
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(10-methoxy-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-(10-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride
Names & synonyms
23901-26-0Butyrophenone, 4'-fluoro-4-(10-methoxy-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochlorideRefChem:1080519
Database identifiers
- CAS
23901-26-0- PubChem CID
- 32129
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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