Ethanaminium, 2-((3-pyridinylcarbonyl)oxy)-N,N,N-triethyl-, iodide, N-oxide

HCID 40052

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Basic information

CAS: 51505-45-4
Standard SMILES: CC[N+](CC)(CC)CCOC(=O)c1ccc[n+]([O-])c1.[I-]
InChIKey: MDHOVBIYMTUKOD-UHFFFAOYSA-M
Molecular formula: C14H23IN2O3
Average molar mass: 394.25 g/mol
Monoisotopic mass: 394.07534

Names & identifiers

Preferred name: Ethanaminium, 2-((3-pyridinylcarbonyl)oxy)-N,N,N-triethyl-, iodide, N-oxide
IUPAC: triethyl-[2-(1-oxidopyridin-1-ium-3-carbonyl)oxyethyl]azanium iodide

Names & synonyms

2-((3-Pyridinylcarbonyl)oxy)-N,N,N-triethylethanaminium iodide N-oxide51505-45-4ETHANAMINIUM, 2-((3-PYRIDINYLCARBONYL)OXY)-N,N,N-TRIETHYL-, IODIDE, N-OXIDERefChem:339916

Database identifiers

CAS: 51505-45-4
PubChem CID: 40052
DTXSID: DTXSID00965842

Properties

Computed structural properties

Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 272

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