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CHEBI:176784 - setiptiline(1+)

ChEBI IDCHEBI:176784
ChEBI Namesetiptiline(1+)
Stars
DefinitionA tertiary ammonium ion that is the conjugate acid of setiptiline obtained by protonation of the tertiary amino group. Major microspecies at pH 7.3.
Last Modified8 July 2021
SubmitterAdnan
DownloadsMolfile
FormulaC19H20N
Net Charge+1
Average Mass262.376
Monoisotopic Mass262.15903
SMILESC[NH+]1CCC2=C(C1)c1ccccc1Cc1ccccc12
InChIInChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3/p+1
InChIKeyGVPIXRLYKVFFMK-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
setiptiline(1+) (CHEBI:176784) is a tertiary ammonium ion (CHEBI:137982)
setiptiline(1+) (CHEBI:176784) is conjugate acid of setiptiline (CHEBI:135076)
Incoming Relation(s)
setiptiline maleate (CHEBI:176786) has part setiptiline(1+) (CHEBI:176784)
setiptiline (CHEBI:135076) is conjugate base of setiptiline(1+) (CHEBI:176784)
IUPAC Name 
2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridin-2-ium
Synonym  Source
setiptiline cationChEBI