Diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate
Basic information
- CAS
105376-91-8- Standard SMILES
CCCCCOc1ccccc1NC(=O)OC(C[NH+](CC)CC)C[NH+]1CCCC1.O=C([O-])C(=O)O.O=C([O-])C(=O)O- InChIKey
IDTVROIKCGTJQC-UHFFFAOYSA-N- Molecular formula
- C27H43N3O11
- Average molar mass
- 585.6 g/mol
- Monoisotopic mass
- 585.2897592
Names & identifiers
- Preferred name
- Diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate
- IUPAC
- diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium;bis(2-hydroxy-2-oxoacetate)
Names & synonyms
diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetateDTXSID50275645105376-91-81-[3-(Diethylazaniumyl)-2-({[2-(pentyloxy)phenyl]carbamoyl}oxy)propyl]pyrrolidin-1-ium bis(hydrogen ethanedioate)
Database identifiers
- CAS
105376-91-8- PubChem CID
- 59953
- DTXSID
DTXSID50275645
Properties
Computed structural properties
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 517
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…