Basic information
- CAS
5853-05-4- Standard SMILES
C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2.[I-]- InChIKey
VLKBCUWKDBHUFH-UHFFFAOYSA-M- Molecular formula
- C13H19IN2O
- Average molar mass
- 346.21 g/mol
- Monoisotopic mass
- 346.05421
Names & identifiers
- Preferred name
- Cytisinium, N,N-dimethyl-, iodide
- IUPAC
- 11,11-dimethyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one iodide
Names & synonyms
(-)-Caulophylline methyl iodide(-)-7R:9S-Caulophylline methiodideCYTISINIUM, N,N-DIMETHYL-, IODIDE5853-05-4RefChem:336404CHEMBL181840DTXSID909740843,3-dimethyl-8-oxo-1,3,4,5,6,8-hexahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium iodide
Database identifiers
- CAS
5853-05-4- PubChem CID
- 22124
- DTXSID
DTXSID90974084- ChEMBL
CHEMBL181840
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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