Basic information
- CAS
20168-80-3- Standard SMILES
CCN(CC)C(=O)c1ccc[n+](C)c1- InChIKey
BEPUNMMUQLADTP-UHFFFAOYSA-N- Molecular formula
- C11H17N2O+
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.13408817
Names & identifiers
- Preferred name
- 3-(Diethylcarbamoyl)-1-methylpyridinium
- IUPAC
- N,N-diethyl-1-methylpyridin-1-ium-3-carboxamide
- English name
- 3-(Diethylcarbamoyl)-1-methylpyridinium
- Molecular formula
- C11H17N2O+
- Molecular weight
- 193.26548
Names & synonyms
3-(diethylcarbamoyl)-1-methylpyridiniumN,N-diethyl-1-methylpyridin-1-ium-3-carboxamide3-[(diethylamino)carbonyl]-1-methylpyridinium20168-80-32ABW84CH2QSCHEMBL8433238STL136083AKOS005745358AO-365/40543005Pyridinium, 3-[(diethylamino)carbonyl]-1-methyl-1-Methyl-3-[(diethylamino)carbonyl]pyridinium
Database identifiers
- CAS
20168-80-3- PubChem CID
- 71831
- UNII
- 2ABW84CH2Q
- Nikkaji
- J259.957K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 24.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 190
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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