Basic information
- CAS
23901-25-9- Standard SMILES
Cn1c2c(c3ccccc31)CC[NH+](CCCC(=O)c1ccc(F)cc1)CC2.[Cl-]- InChIKey
MGSXEOGSPHIRRK-UHFFFAOYSA-N- Molecular formula
- C23H26ClFN2O
- Average molar mass
- 400.9 g/mol
- Monoisotopic mass
- 400.1717693
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(6-methyl-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride
Names & synonyms
23901-25-9Butyrophenone, 4'-fluoro-4-(6-methyl-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochlorideRefChem:1080520
Database identifiers
- CAS
23901-25-9- PubChem CID
- 32127
Properties
Computed structural properties
- Topological polar surface area
- 26.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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