1-Hexadecylpyridin-1-ium-3-carboximidate--hydrogen chloride (1/1)
Basic information
- CAS
63906-10-5- Standard SMILES
CCCCCCCCCCCCCCCC[n+]1cccc(C(N)=O)c1.[Cl-]- InChIKey
CQTWFNBKNBCXIC-UHFFFAOYSA-N- Molecular formula
- C22H39ClN2O
- Average molar mass
- 383 g/mol
- Monoisotopic mass
- 382.2750916
Names & identifiers
- Preferred name
- 1-Hexadecylpyridin-1-ium-3-carboximidate--hydrogen chloride (1/1)
- IUPAC
- 1-hexadecylpyridin-1-ium-3-carboxamide chloride
Names & synonyms
63906-10-5DTXSID609809151-Hexadecylpyridin-1-ium-3-carboximidate--hydrogen chloride (1/1)RefChem:1055527DTXCID0014081883-Carbamoyl-1-hexadecylpyridinium chloridePyridinium, 3-carbamoyl-1-hexadecyl-, chloride
Database identifiers
- CAS
63906-10-5- PubChem CID
- 3048433
Properties
Computed structural properties
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…