4-methoxy-N-[2-[(1-methylpyridin-1-ium-2-yl)methyl]phenyl]benzamide
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Basic information
- Standard SMILES
COc1ccc(C(=O)Nc2ccccc2Cc2cccc[n+]2C)cc1- InChIKey
BIJVPNNTRYAANY-UHFFFAOYSA-O- Molecular formula
- C21H21N2O2+
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.16030292
Names & identifiers
- Preferred name
- 4-methoxy-N-[2-[(1-methylpyridin-1-ium-2-yl)methyl]phenyl]benzamide
- IUPAC
- 4-methoxy-N-[2-[(1-methylpyridin-1-ium-2-yl)methyl]phenyl]benzamide
Database identifiers
- PubChem CID
- 20560010
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 420
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Related reactions
1 records
Compound notes
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