Basic information
- CAS
6893-34-1- Standard SMILES
CC[N+](C)(CC)CCc1ccccn1.[I-]- InChIKey
BUTAYBCQUSRQAO-UHFFFAOYSA-M- Molecular formula
- C12H21IN2
- Average molar mass
- 320.21 g/mol
- Monoisotopic mass
- 320.07495
Overview
slows aging of cholinesterase reactivating cpds; structure given in first source; RN given refers to iodide
Names & identifiers
- Preferred name
- (2-(2-Pyridyl)ethyl)diethylmethylammonium
- IUPAC
- diethyl-methyl-(2-pyridin-2-ylethyl)azanium iodide
- English name
- (2-(2-Pyridyl)ethyl)diethylmethylammonium
- Molecular formula
- C12H21N2+
- Molecular weight
- 193.30854
Names & synonyms
(2-(2-Pyridyl)ethyl)diethylmethylammonium6893-34-1RefChem:685462-PEDMACHEMBL15822Diethylmethyl(2-(2-pyridyl)ethyl)ammonium iodidediethyl-methyl-(2-pyridin-2-ylethyl)azanium;iodide2-Pyridineethanaminium, N,N-diethyl-N-methyl-, iodideAmmonium, diethylmethyl(2-(2-pyridyl)ethyl)-, iodideDTXSID20988639(2-(2-pyridyl)ethyl)diethylmethylammonium iodideN,N-Diethyl-N-methyl-2-(pyridin-2-yl)ethan-1-aminium iodide
Database identifiers
- CAS
6893-34-1- PubChem CID
- 3036615
- DTXSID
DTXSID20988639- ChEMBL
CHEMBL15822
Properties
Computed structural properties
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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