Basic information
- CAS
34944-01-9- Standard SMILES
CC1(OCCC2CCCC[NH2+]2)C(=O)N(Cc2ccccc2)c2ccccc21.O=C([O-])C(=O)O- InChIKey
KVDAECXJDCZOPL-UHFFFAOYSA-N- Molecular formula
- C25H30N2O6
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.21038668
Names & identifiers
- Preferred name
- 2-Indolinone, 1-benzyl-3-methyl-3-(2-(piperidino)ethoxy)-, oxalate
- IUPAC
- 1-benzyl-3-methyl-3-(2-piperidin-1-ium-2-ylethoxy)indol-2-one;2-hydroxy-2-oxoacetate
Names & synonyms
1-Benzyl-3-methyl-3-(2-(piperidino)ethoxy)-2-indolinone oxalate34944-01-92-INDOLINONE, 1-BENZYL-3-METHYL-3-(2-(PIPERIDINO)ETHOXY)-, OXALATE2H-Indol-2-one, 1,3-dihydro-3-methyl-1-(phenylmethyl)-3-(2-(1-piperidinyl)ethoxy)-, oxalateRefChem:262084
Database identifiers
- CAS
34944-01-9- PubChem CID
- 37008
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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