Basic information
- CAS
110816-65-4- Standard SMILES
COc1cc(OC)c(/C=C/c2ccc3ccccc3[n+]2C)c(OC)c1.[I-]- InChIKey
BSZCJECWUBRILW-CALJPSDSSA-M- Molecular formula
- C21H22INO3
- Average molar mass
- 463.3 g/mol
- Monoisotopic mass
- 463.06444
Names & identifiers
- Preferred name
- Quinolinium, 1-methyl-2-(2-(2,4,6-trimethoxyphenyl)ethenyl)-, iodide
- IUPAC
- 1-methyl-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium iodide
Names & synonyms
Quinolinium, 1-methyl-2-(2-(2,4,6-trimethoxyphenyl)ethenyl)-, iodide110816-65-4RefChem:10978971-Methyl-2-(2-(2,4,6-trimethoxyphenyl)ethenyl)quinolinium iodideNSC166675NSC-166675
Database identifiers
- CAS
110816-65-4- PubChem CID
- 6448044
Properties
Computed structural properties
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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