Ammonium, (o-chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)-

HCID 55211

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Basic information

CAS: 84213-95-6
Standard SMILES: CC[N+](CC)(CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1Cl
InChIKey: GDUBXMOOQQAGDS-UHFFFAOYSA-O
Molecular formula: C22H30ClN2O+
Average molar mass: 373.9 g/mol
Monoisotopic mass: 373.2046663

Names & identifiers

Preferred name: Ammonium, (o-chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)-
IUPAC: (2-chlorophenyl)methyl-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

Names & synonyms

84213-95-6AMMONIUM, (o-CHLOROBENZYL)DIETHYL(((2,4,6-TRIMETHYLPHENYL)CARBAMOYL)METHYL)-(o-Chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)ammoniumDTXSID40233138Benzenemethanaminium, 2-chloro-N,N-diethyl-N-(2-oxo-2-((2,4,6-trimethylphenyl)amino)ethyl)-RefChem:319042DTXCID40155629N-[(2-Chlorophenyl)methyl]-N,N-diethyl-2-oxo-2-(2,4,6-trimethylanilino)ethan-1-aminium

Database identifiers

CAS: 84213-95-6
PubChem CID: 55211
DTXSID: DTXSID40233138

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 1
Complexity: 439

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