Basic information
- CAS
2255-02-9- Standard SMILES
CCCCCCC[n+]1cccc(C(N)=O)c1.[Cl-]- InChIKey
HWEHBOGOQWJDIW-UHFFFAOYSA-N- Molecular formula
- C13H21ClN2O
- Average molar mass
- 256.77 g/mol
- Monoisotopic mass
- 256.134241
Names & identifiers
- Preferred name
- Pyridinium, 3-carbamoyl-1-heptyl-, chloride
- IUPAC
- 1-heptylpyridin-1-ium-3-carboxamide chloride
Names & synonyms
2255-02-9Pyridinium, 3-carbamoyl-1-heptyl-, chlorideRefChem:10974423-Carbamoyl-1-heptylpyridinium chlorideN(1)-Heptylnicotinamide chloridePyridinium, 3-(aminocarbonyl)-1-heptyl-, chloride
Database identifiers
- CAS
2255-02-9- PubChem CID
- 75265
Properties
Computed structural properties
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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