Basic information
- CAS
16183-83-8- Standard SMILES
NC(=O)c1ccc[n+](Cc2ccccc2)c1- InChIKey
GPBSRPLIMMWMQS-UHFFFAOYSA-O- Molecular formula
- C13H13N2O+
- Average molar mass
- 213.25 g/mol
- Monoisotopic mass
- 213.10278804
Names & identifiers
- Preferred name
- 1-Benzyl-3-carbamoylpyridinium
- IUPAC
- 1-benzylpyridin-1-ium-3-carboxamide
- English name
- 3-(Aminocarbonyl)-1-benzylpyridinium
- Molecular formula
- C13H13N2O+
- Molecular weight
- 213.26
Names & synonyms
1-benzyl-3-carbamoylpyridinium16183-83-8DTXSID50275766RefChem:228007DTXCID502271491-BENZYL-3-CARBAMOYLPYRIDIN-1-IUMPyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-3-(aminocarbonyl)-1-benzylpyridinium1-benzylpyridin-1-ium-3-carboxamideCHEMBL72270SCHEMBL1982654SCHEMBL30056154
Show more names
MFCD00137839STX019863AKOS001586339NCGC00245989-01EU-0033531AB00543213-06AC-907/25000241AE-641/00395001
Database identifiers
- CAS
16183-83-8- PubChem CID
- 78775
- DTXSID
DTXSID50275766- ChEMBL
CHEMBL72270- Nikkaji
- J238.107I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 236
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
SPECS[email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…