Basic information
- Standard SMILES
CC(C)Oc1cc(-c2cc[n+](CCO)cc2)ccc1[N+](=O)[O-].[I-]- InChIKey
BWRKMYYNLMGXAT-UHFFFAOYSA-M- Molecular formula
- C16H19IN2O4
- Average molar mass
- 430.24 g/mol
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethyl)-4-[4-nitro-3-(propan-2-yloxy)phenyl]pyridinium iodide
- IUPAC
- 2-[4-(4-nitro-3-propan-2-yloxyphenyl)pyridin-1-ium-1-yl]ethanol iodide
Names & synonyms
SCHEMBL15283122BWRKMYYNLMGXAT-UHFFFAOYSA-M1-(2-hydroxyethyl)-4-[4-nitro-3-(propan-2-yloxy)phenyl]pyridinium iodide
Database identifiers
- PubChem CID
- 86698019
Properties
Computed structural properties
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 351
Related reactions
2 records
Compound notes
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