Basic information
- CAS
37126-68-4- Standard SMILES
CCC1(c2ccccc2)CN(CC[NH+]2CCCCC2)c2ccccc21.O=C([O-])C(=O)O- InChIKey
DMYZOXGMZBJTSJ-UHFFFAOYSA-N- Molecular formula
- C25H32N2O4
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.23620751
Names & identifiers
- Preferred name
- 1H-Indole, 2,3-dihydro-3-ethyl-3-phenyl-1-(2-piperidinoethyl)-, oxalate (1:1)
- IUPAC
- 3-ethyl-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)-2H-indole;2-hydroxy-2-oxoacetate
Names & synonyms
2,3-Dihydro-3-ethyl-3-phenyl-1-(2-piperidinoethyl)-1H-indole oxalate37126-68-41H-INDOLE, 2,3-DIHYDRO-3-ETHYL-3-PHENYL-1-(2-PIPERIDINOETHYL)-, OXALATE (1:1)RefChem:238712
Database identifiers
- CAS
37126-68-4- PubChem CID
- 37667
Properties
Computed structural properties
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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