Basic information
- CAS
37126-69-5- Standard SMILES
CCC1(c2ccccc2)c2ccccc2NC1CC[NH+]1CCOCC1.O=C([O-])C(=O)O- InChIKey
KZAILXRQKLDLCA-UHFFFAOYSA-N- Molecular formula
- C24H30N2O5
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.21547206
Names & identifiers
- Preferred name
- 1H-Indole, 2,3-dihydro-3-ethyl-1-(2-(morpholino)ethyl)-3-phenyl-, oxalate (1:1)
- IUPAC
- 4-[2-(3-ethyl-3-phenyl-1,2-dihydroindol-2-yl)ethyl]morpholin-4-ium;2-hydroxy-2-oxoacetate
Names & synonyms
2,3-Dihydro-3-ethyl-1-(2-(morpholino)ethyl)-3-phenyl-1H-indole oxalate1H-INDOLE, 2,3-DIHYDRO-3-ETHYL-1-(2-(MORPHOLINO)ETHYL)-3-PHENYL-, OXALATE (1:1)37126-69-5RefChem:238710
Database identifiers
- CAS
37126-69-5- PubChem CID
- 37669
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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