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CHEBI:176970 - piroheptine(1+)

ChEBI IDCHEBI:176970
ChEBI Namepiroheptine(1+)
Stars
DefinitionA tertiary ammonium ion that is the conjugate acid of piroheptine, arising from the protonation of the pyrrolidine nitrogen. Major microspecies at pH 7.3.
Last Modified30 July 2021
SubmitterAdnan
DownloadsMolfile
FormulaC22H26N
Net Charge+1
Average Mass304.457
Monoisotopic Mass304.20598
SMILESCC[NH+]1CCC(=C2c3ccccc3CCc3ccccc32)C1C
InChIInChI=1S/C22H25N/c1-3-23-15-14-19(16(23)2)22-20-10-6-4-8-17(20)12-13-18-9-5-7-11-21(18)22/h4-11,16H,3,12-15H2,1-2H3/p+1
InChIKeyNKJQZSDCCLDOQH-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
piroheptine(1+) (CHEBI:176970) is a tertiary ammonium ion (CHEBI:137982)
piroheptine(1+) (CHEBI:176970) is conjugate acid of piroheptine (CHEBI:135287)
Incoming Relation(s)
piroheptine hydrochloride (CHEBI:32018) has part piroheptine(1+) (CHEBI:176970)
piroheptine (CHEBI:135287) is conjugate base of piroheptine(1+) (CHEBI:176970)
IUPAC Name 
3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-1-ethyl-2-methylpyrrolidinium
Synonym  Source
piroheptine cationChEBI