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3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium

CHEBI:CHEBI_77408

Definition

An ammonium ion resulting from the protonation of the tertiary amino group of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile.

Chemical Information

Molecular Formula
C20H22FN2O
Molecular Mass
325.39930
Charge
+1
SMILES
C[NH+](C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
InChI
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1
InChIKey
WSEQXVZVJXJVFP-UHFFFAOYSA-O

Alternative Names

  • 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:77408

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Additional Attributes

chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_77397
owl#someValuesFrom
t292716
owl#annotatedSource
t293660
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:77408
core#notation
CHEBI:77408
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_77397
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class