Basic information
- CAS
732183-55-0- Standard SMILES
CC[N+]1(C)CCC(OC(=O)C(c2ccccc2)C2CCCC2)C1- InChIKey
ALFZXSYVXNSOBR-UHFFFAOYSA-N- Molecular formula
- C20H30NO2+
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.2276542
Names & identifiers
- Preferred name
- Cyclopyrronium
- IUPAC
- (1-ethyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenylacetate
Names & synonyms
CyclopyrroniumUNII-GYP5851PHSGYP5851PHS732183-55-01-ETHYL-3-HYDROXY-1-METHYLPYRROLIDINIUM .ALPHA.-CYCLOPENTYLPHENYLACETATEPYRROLIDINIUM, 3-((2-CYCLOPENTYL-2-PHENYLACETYL)OXY)-1-ETHYL-1-METHYL-RefChem:1299611-ETHYL-3-HYDROXY-1-METHYLPYRROLIDINIUM ALPHA-CYCLOPENTYLPHENYLACETATESCHEMBL2112289CHEMBL2110779Q27279359
Database identifiers
- CAS
732183-55-0- PubChem CID
- 72083
- ChEMBL
CHEMBL2110779- UNII
- GYP5851PHS
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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