Basic information
- Standard SMILES
COc1cc(C=Cc2ccc3ccccc3[n+]2C)cc(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[I-]- InChIKey
DWVBQZAGFGITRD-ZFMSMJNSSA-M- Molecular formula
- C26H30INO8
- Average molar mass
- 611.4 g/mol
- Monoisotopic mass
- 611.10161
Names & identifiers
- Preferred name
- 2-{2-[4-(beta-D-Galactopyranosyloxy)-3,5-dimethoxyphenyl]-vinyl}-1-methylquinolinium iodide
- IUPAC
- (2S,3R,4S,5R,6R)-2-[2,6-dimethoxy-4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol iodide
Names & synonyms
SCHEMBL9483031DWVBQZAGFGITRD-ZFMSMJNSSA-M2-{2-[4-(beta-D-Galactopyranosyloxy)-3,5-dimethoxyphenyl]-vinyl}-1-methylquinolinium iodide
Database identifiers
- PubChem CID
- 67859922
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 680
Related reactions
1 records
Compound notes
Loading…