4,4'-[1,6-Hexanediylbis(iminocarbonyl)]bis[1-decylpyridinium] dibromide
Basic information
- CAS
190513-77-0- Standard SMILES
CCCCCCCCCC[n+]1ccc(C(=O)NCCCCCCNC(=O)c2cc[n+](CCCCCCCCCC)cc2)cc1.[Br-].[Br-]- InChIKey
CNJSEKJABVECCJ-UHFFFAOYSA-N- Molecular formula
- C38H64Br2N4O2
- Average molar mass
- 768.7 g/mol
- Monoisotopic mass
- 766.3396
Names & identifiers
- Preferred name
- 4,4'-[1,6-Hexanediylbis(iminocarbonyl)]bis[1-decylpyridinium] dibromide
- IUPAC
- 1-decyl-N-[6-[(1-decylpyridin-1-ium-4-carbonyl)amino]hexyl]pyridin-1-ium-4-carboxamide dibromide
Names & synonyms
4,4'-[1,6-Hexanediylbis(iminocarbonyl)]bis[1-decylpyridinium] dibromide190513-77-0SCHEMBL305573CHEMBL208259DTXSID401044198
Database identifiers
- CAS
190513-77-0- PubChem CID
- 9832074
- DTXSID
DTXSID401044198- ChEMBL
CHEMBL208259
Properties
Computed structural properties
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 27
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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