Basic information
- CAS
84213-93-4- Standard SMILES
CC[N+](CC)(CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1- InChIKey
ZZDZKCHLALRTIB-UHFFFAOYSA-O- Molecular formula
- C22H31N2O+
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.24363862
Names & identifiers
- Preferred name
- Ammonium, benzyldiethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)-
- IUPAC
- benzyl-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Names & synonyms
AMMONIUM, BENZYLDIETHYL(((2,4,6-TRIMETHYLPHENYL)CARBAMOYL)METHYL)-Benzyldiethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)ammonium84213-93-4DTXSID80233137RefChem:319162DTXCID80155628Benzenemethanaminium, N,N-diethyl-N-(2-oxo-2-((2,4,6-trimethylphenyl)amino)ethyl)-(10CI)N-Benzyl-N,N-diethyl-2-oxo-2-(2,4,6-trimethylanilino)ethan-1-aminiumBenzenemethanaminium, N,N-diethyl-N-(2-oxo-2-((2,4,6-trimethylphenyl)amino)ethyl)-
Database identifiers
- CAS
84213-93-4- PubChem CID
- 55210
- DTXSID
DTXSID80233137
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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