Basic information
- Standard SMILES
Cc1cc(NC(=O)c2ccccc2C)ccc1C(=O)C[n+]1ccccc1.[Cl-]- InChIKey
AUJKAGHGTCXGKJ-UHFFFAOYSA-N- Molecular formula
- C22H21ClN2O2
- Average molar mass
- 380.9 g/mol
Names & identifiers
- Preferred name
- 1-{2-[2-Methyl-4-(2-methylbenzoylamino)phenyl]-2-oxoethyl}pyridinium chloride
- IUPAC
- 2-methyl-N-[3-methyl-4-(2-pyridin-1-ium-1-ylacetyl)phenyl]benzamide chloride
Names & synonyms
SCHEMBL533692AUJKAGHGTCXGKJ-UHFFFAOYSA-N1-{2-[2-methyl-4-(2-methylbenzoylamino)-phenyl]-2-oxoethyl}pyridinium chloride1-{2-[2-methyl-4-(2-methylbenzoylamino)phenyl]-2-oxoethyl}pyridinium chloride
Database identifiers
- PubChem CID
- 86636904
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 487
Related reactions
2 records
Compound notes
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