Basic information
- CAS
38763-55-2- Standard SMILES
Cc1c2[n+](cc3cc4c(cc13)OCO4)CCc1cc3c(cc1-2)OCO3.[I-]- InChIKey
FURQGHJSKAOZLG-UHFFFAOYSA-M- Molecular formula
- C20H16INO4
- Average molar mass
- 461.2 g/mol
- Monoisotopic mass
- 461.01241
Names & identifiers
- Preferred name
- Worenine iodide
- IUPAC
- 24-methyl-5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene iodide
Names & synonyms
Worenine iodideWorenine iodide [MI]38763-55-2UNII-ZQO6JV1C5FZQO6JV1C5F5,6-Dihydro-14-methylbis(1,3)benzodioxolo(5,6-a:5,6-g)quinolizinium iodideBis(1,3)benzodioxolo(5,6-a:5',6'-g)quinolizinium, 5,6-dihydro-14-methyl-, iodide (1:1)NBA7635524-methyl-5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene;iodideQ27295846
Database identifiers
- CAS
38763-55-2- PubChem CID
- 90479219
- UNII
- ZQO6JV1C5F
Properties
Computed structural properties
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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