Ethanaminium, 2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-N,N,N-triethyl-, iodide
Basic information
- CAS
69844-09-3- Standard SMILES
CC[N+](CC)(CC)CCOc1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1.[I-]- InChIKey
YMLLWKRYSLIPPX-UHFFFAOYSA-M- Molecular formula
- C23H31IN2O3
- Average molar mass
- 510.4 g/mol
- Monoisotopic mass
- 510.13794
Names & identifiers
- Preferred name
- Ethanaminium, 2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-N,N,N-triethyl-, iodide
- IUPAC
- 2-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenoxy]ethyl-triethylazanium iodide
Names & synonyms
69844-09-3Ethanaminium, 2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-N,N,N-triethyl-, iodideRefChem:339944DTXSID309901022-[3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]-N,N,N-triethylethan-1-aminium iodide
Database identifiers
- CAS
69844-09-3- PubChem CID
- 50908
- DTXSID
DTXSID30990102
Properties
Computed structural properties
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 603
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Compound notes
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