3-Carbamoyl-1-decylpyridin-1-ium bromide
Basic information
- CAS
25421-90-3- Standard SMILES
CCCCCCCCCC[n+]1cccc(C(N)=O)c1.[Br-]- InChIKey
FBKYOMBYJLIHFN-UHFFFAOYSA-N- Molecular formula
- C16H27BrN2O
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 342.13068
Names & identifiers
- Preferred name
- 3-Carbamoyl-1-decylpyridin-1-ium bromide
- IUPAC
- 1-decylpyridin-1-ium-3-carboxamide bromide
- English name
- Pyridinium,3-(aminocarbonyl)-1-decyl-, bromide (1:1)
- Molecular formula
- C16H27BrN2O
- Molecular weight
- 343.30238
Names & synonyms
25421-90-3DTXSID406382053-CARBAMOYL-1-DECYLPYRIDIN-1-IUM BROMIDERefChem:278003DTXCID20588956NSC141144AKOS024332731NSC-141144ST505462143-CARBAMOYL-1-DECYLPYRIDINIUM BROMIDEPyridinium,3-(aminocarbonyl)-1-decyl-, bromide (1:1)
Database identifiers
- CAS
25421-90-3- PubChem CID
- 24192551
- DTXSID
DTXSID40638205
Properties
Computed structural properties
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 243
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Related reactions
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Compound notes
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