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Basic information
- Standard SMILES
C[N+]1(Cc2ccc(NC(=O)C=Cc3cccc(-c4ccc(F)cc4)c3)cc2)CCCCC1- InChIKey
KLQQJGUOIJTHGS-UHFFFAOYSA-O- Molecular formula
- C28H30FN2O+
- Average molar mass
- 429.5 g/mol
Names & identifiers
- Preferred name
- 3-[3-(4-fluorophenyl)phenyl]-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]prop-2-enamide
- IUPAC
- 3-[3-(4-fluorophenyl)phenyl]-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]prop-2-enamide
Database identifiers
- PubChem CID
- 54001073
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 1
- Complexity
- 613
Related reactions
1 records
Compound notes
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