Basic information
- Standard SMILES
COc1ccc2c(c1)C(C)(C)C(C)=[N+]2Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.[I-]- InChIKey
FFBQMQQSEARMDA-UHFFFAOYSA-M- Molecular formula
- C19H20IN3O5
- Average molar mass
- 497.3 g/mol
Names & identifiers
- Preferred name
- 1-(3,5-dinitrobenzyl)-5-methoxy-2,3,3-trimethyl-3H-indolium iodide
- IUPAC
- 1-[(3,5-dinitrophenyl)methyl]-5-methoxy-2,3,3-trimethylindol-1-ium iodide
Names & synonyms
1-(3,5-dinitrobenzyl)-5-methoxy-2,3,3-trimethyl-3H-indolium iodideSCHEMBL3856937FFBQMQQSEARMDA-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 86637540
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 614
Related reactions
2 records
Compound notes
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