4-(2-ethoxy-2-oxoethyl)-1,1-dimethyl-4-(N-(4-octylphenyl)sulfamoyl-amino)piperidinium iodide
Basic information
- Standard SMILES
CCCCCCCCc1ccc(NS(=O)(=O)NC2(CC(=O)OCC)CC[N+](C)(C)CC2)cc1.[I-]- InChIKey
JMEMFHFTIHOJBR-UHFFFAOYSA-M- Molecular formula
- C25H44IN3O4S
- Average molar mass
- 609.6 g/mol
- Monoisotopic mass
- 609.20973
Names & identifiers
- Preferred name
- 4-(2-ethoxy-2-oxoethyl)-1,1-dimethyl-4-(N-(4-octylphenyl)sulfamoyl-amino)piperidinium iodide
- IUPAC
- ethyl 2-[1,1-dimethyl-4-[(4-octylphenyl)sulfamoylamino]piperidin-1-ium-4-yl]acetate iodide
Names & synonyms
SCHEMBL982299JMEMFHFTIHOJBR-UHFFFAOYSA-M4-(2-ethoxy-2-oxoethyl)-1,1-dimethyl-4-(N-(4-octylphenyl)sulfamoyl-amino) piperidinium iodide4-(2-ethoxy-2-oxoethyl)-1,1-dimethyl-4-(N-(4-octylphenyl)sulfamoyl-amino)piperidinium iodide
Database identifiers
- PubChem CID
- 66866252
Properties
Computed structural properties
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 672
Related reactions
1 records
Compound notes
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