Basic information
- Standard SMILES
CC(C)(C)c1nc(N2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1.[Cl-]- InChIKey
DMZFUEVGPLYORI-UHFFFAOYSA-N- Molecular formula
- C25H33ClF3N5O
- Average molar mass
- 512 g/mol
Names & identifiers
- Preferred name
- 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride
- IUPAC
- 1-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-ium-1-yl]propyl]-3,4-dihydroquinolin-2-one chloride
Names & synonyms
1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride
Database identifiers
- PubChem CID
- 67153121
Properties
Computed structural properties
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 689
Related reactions
2 records
Compound notes
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