Basic information
- CAS
19996-95-3- Standard SMILES
C=CC[NH+]1CCC(N(C(=O)Nc2ccccc2)c2ccccc2)C1.O=C([O-])C(=O)O- InChIKey
DQAWNXIZKFOTEX-UHFFFAOYSA-N- Molecular formula
- C22H25N3O5
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.17942091
Names & identifiers
- Preferred name
- Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1)
- IUPAC
- 1,3-diphenyl-1-(1-prop-2-enylpyrrolidin-1-ium-3-yl)urea;2-hydroxy-2-oxoacetate
Names & synonyms
N-(1-Allyl-3-pyrrolidinyl)carbanilide oxalateCARBANILIDE, N-(1-ALLYL-3-PYRROLIDINYL)-, OXALATE (1:1)19996-95-3RefChem:333203
Database identifiers
- CAS
19996-95-3- PubChem CID
- 29902
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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