Basic information
- CAS
25410-71-3- Standard SMILES
O=C(O)C(=O)O.[O-][N+]1(CCN=c2c3ccccc3ccc3ccccc23)CCCC1- InChIKey
AXJGLIFNVRCJJR-UHFFFAOYSA-N- Molecular formula
- C23H24N2O5
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.16852187
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(2-(5H-dibenzo(a,d)cyclohepten-5-ylideneamino)ethyl)-, N-oxide, oxalate (1:1)
- IUPAC
- oxalic acid;N-[2-(1-oxidopyrrolidin-1-ium-1-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine
Names & synonyms
LM 29261-(2-(5H-Dibenzo(a,d)cyclohepten-5-ylideneamino)ethyl)pyrrolidine N-oxide oxalate (1:1)25410-71-3Pyrrolidine, 1-(2-(5H-dibenzo(a,d)cyclohepten-5-ylideneamino)ethyl)-, N-oxide, oxalate (1:1)RefChem:377974DTXSID10948267Oxalic acid--N-[2-(1-oxo-1lambda~5~-pyrrolidin-1-yl)ethyl]-5H-dibenzo[a,d][7]annulen-5-imine (1/1)
Database identifiers
- CAS
25410-71-3- PubChem CID
- 212933
- DTXSID
DTXSID10948267
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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