1-cycloheptylmethyl-4-(((2R)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanoyl)oxy)-1-methylpiperidinium Iodide
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Basic information
- Standard SMILES
C[N+]1(CC2CCCCCC2)CCC(OC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1.[I-]- InChIKey
IPYYQGJFKYFWOW-ZSAZACDDSA-M- Molecular formula
- C27H40F2INO3
- Average molar mass
- 591.5 g/mol
Names & identifiers
- Preferred name
- 1-cycloheptylmethyl-4-(((2R)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanoyl)oxy)-1-methylpiperidinium Iodide
- IUPAC
- [1-(cycloheptylmethyl)-1-methylpiperidin-1-ium-4-yl] (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate iodide
Names & synonyms
1-cycloheptylmethyl-4-(((2R)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanoyl)oxy)-1-methylpiperidinium IodideSCHEMBL4509691
Database identifiers
- PubChem CID
- 69072802
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 650
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Related reactions
3 records
Compound notes
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