Basic information
- CAS
71550-24-8- Standard SMILES
CCN(Cc1ccccc1)c1ccc(C=C(C#N)C(=O)OCC[N+](C)(C)C)cc1.[Cl-]- InChIKey
GTKFSJLRKKMBFK-UHFFFAOYSA-M- Molecular formula
- C24H30ClN3O2
- Average molar mass
- 428 g/mol
- Monoisotopic mass
- 427.2026549
Overview
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Names & identifiers
- Preferred name
- 2-[3-[4-[Benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium;chloride
- IUPAC
- 2-[3-[4-[benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium chloride
Names & synonyms
71550-24-82-[3-[4-[Benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium;chlorideC.I. Basic Yellow 90DTXSID20887911GTKFSJLRKKMBFK-UHFFFAOYSA-M2-[(3-{4-[Benzyl(ethyl)amino]phenyl}-2-cyanoprop-2-enoyl)oxy]-N,N,N-trimethylethan-1-aminium chloride
Database identifiers
- CAS
71550-24-8- PubChem CID
- 166167
- DTXSID
DTXSID20887911
Properties
Computed structural properties
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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