1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide
Basic information
- CAS
3088-28-6- Standard SMILES
CC[N+]1(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCC1.[I-]- InChIKey
HFZMPHCQFRQXLZ-UHFFFAOYSA-M- Molecular formula
- C18H28INO5
- Average molar mass
- 465.3 g/mol
- Monoisotopic mass
- 465.10122
Names & identifiers
- Preferred name
- 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide
- IUPAC
- 2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide
Names & synonyms
DTXSID709530591-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide1-Ethyl-1-{2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl}pyrrolidin-1-ium iodideRefChem:1055393DTXCID6013811223088-28-6Troxypyrrolidinium iodideN-Ethyl-N-(2-(3,4,5-trimethoxybenzoyloxy)ethyl)pyrrolidinium iodide1-Ethyl-1-(2-hydroxyethyl)pyrrolidinium iodide 3,4,5-trimethoxybenzoatePyrrolidinium, 1-ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)-, iodidePyrrolidinium, 1-ethyl-1-(2-hydroxyethyl)-, iodide, 3,4,5-trimethoxybenzoate
Database identifiers
- CAS
3088-28-6- PubChem CID
- 201011
- DTXSID
DTXSID70953059
Properties
Computed structural properties
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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