Basic information
- CAS
2238-77-9- Standard SMILES
C=CC[N+]1(CCC(O)(c2ccccc2)c2cccs2)CCOCC1.[Br-]- InChIKey
OLEOFSVNCNEGPY-UHFFFAOYSA-M- Molecular formula
- C20H26BrNO2S
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 423.08676
Names & identifiers
- Preferred name
- Morpholinium, 4-allyl-4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-, bromide
- IUPAC
- 1-phenyl-3-(4-prop-2-enylmorpholin-4-ium-4-yl)-1-thiophen-2-ylpropan-1-ol bromide
Names & synonyms
2238-77-94-Allyl-4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)morpholinium bromideMorpholinium, 4-allyl-4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-, bromideRefChem:3579273,5-di-tert-butyl bromobenzeneeDTXSID709450304-[3-HYDROXY-3-PHENYL-3-(THIOPHEN-2-YL)PROPYL]-4-(PROP-2-EN-1-YL)MORPHOLIN-4-IUM BROMIDE
Database identifiers
- CAS
2238-77-9- PubChem CID
- 200536
- DTXSID
DTXSID70945030
Properties
Computed structural properties
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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