Ammonium, dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)-, chloride
Basic information
- CAS
87415-49-4- Standard SMILES
Cc1cccc(C)c1NC(=O)C[N+](C)(C)CC(O)COc1cccc2ccccc12.[Cl-]- InChIKey
VHHFHLOCPORFDL-UHFFFAOYSA-N- Molecular formula
- C25H31ClN2O3
- Average molar mass
- 443 g/mol
- Monoisotopic mass
- 442.2023205
Names & identifiers
- Preferred name
- Ammonium, dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)-, chloride
- IUPAC
- [2-(2,6-dimethylanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium chloride
Names & synonyms
Ammonium, dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)-, chloride87415-49-4Dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)ammonium chlorideRefChem:319306MLS000687459CHEMBL1487176HMS2718D18SMR000283449ST50320548{[(2,6-dimethylphenyl)carbamoyl]methyl}[2-hydroxy-3-(naphthalen-1-yloxy)propyl]dimethylazanium chloride
Database identifiers
- CAS
87415-49-4- PubChem CID
- 55694
- ChEMBL
CHEMBL1487176
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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