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Basic information
- Standard SMILES
CCOC(=O)CC1(NC(=O)c2ccc(CCc3ccccc3)o2)CC[N+](C)(C)CC1.[I-]- InChIKey
DXIXLQMSZWAYCA-UHFFFAOYSA-N- Molecular formula
- C24H33IN2O4
- Average molar mass
- 540.4 g/mol
- Monoisotopic mass
- 540.14851
Names & identifiers
- Preferred name
- 4-(2-Ethoxy-2-oxoethyl)-1,1-dimethyl-4-(5-phenethylfuran-2-carboxamido)-piperidinium iodide
- IUPAC
- ethyl 2-[1,1-dimethyl-4-[[5-(2-phenylethyl)furan-2-carbonyl]amino]piperidin-1-ium-4-yl]acetate iodide
Names & synonyms
SCHEMBL977791DXIXLQMSZWAYCA-UHFFFAOYSA-N4-(2-Ethoxy-2-oxoethyl)-1,1-dimethyl-4-(5-phenethylfuran-2-carboxamido)-piperidinium iodide
Database identifiers
- PubChem CID
- 66864652
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 576
Related reactions
1 records
Compound notes
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