Basic information
- CAS
4061-35-2- Standard SMILES
Cc1cccc(C)c1NC(=O)CCC[N+](C)(C)CC(=O)Nc1ccccc1.[Cl-]- InChIKey
FKDUESOKKBSVLY-UHFFFAOYSA-N- Molecular formula
- C22H30ClN3O2
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.2026549
Names & identifiers
- Preferred name
- Ammonium, dimethyl((phenylcarbamoyl)methyl)(3-(2,6-xylylcarbamoyl)propyl)-, chloride
- IUPAC
- (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium chloride
Names & synonyms
4061-35-2Dimethyl((phenylcarbamoyl)methyl)(3-(2,6-xylylcarbamoyl)propyl)ammonium chlorideAmmonium, dimethyl((phenylcarbamoyl)methyl)(3-(2,6-xylylcarbamoyl)propyl)-, chlorideRefChem:319297
Database identifiers
- CAS
4061-35-2- PubChem CID
- 19977
Properties
Computed structural properties
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…