Basic information
- Standard SMILES
Cc1cc(NC(=O)c2ccccc2C)ccc1C(=O)C[n+]1ccccc1- InChIKey
JAZFYELDWXOBAN-UHFFFAOYSA-O- Molecular formula
- C22H21N2O2+
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.16030292
Names & identifiers
- Preferred name
- 2-methyl-N-[3-methyl-4-(2-pyridin-1-ium-1-ylacetyl)phenyl]benzamide
- IUPAC
- 2-methyl-N-[3-methyl-4-(2-pyridin-1-ium-1-ylacetyl)phenyl]benzamide
Database identifiers
- PubChem CID
- 86636905
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 487
Related reactions
1 records
Compound notes
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