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CHEBI:234342 - AT-1015(1+)

ChEBI IDCHEBI:234342
ChEBI NameAT-1015(1+)
Stars
DefinitionA piperidinium ion that is the conjugate acid of AT-1015 free base resulting from the protonation of the piperidine nitrogen; Major species at pH 7.3.
Last Modified21 May 2025
SubmitterAdnan
DownloadsMolfile
FormulaC29H34N3O2
Net Charge+1
Average Mass456.610
Monoisotopic Mass456.26455
SMILES[H]C(=O)N1CCC(C(=O)NCC[NH+]2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)CC1
InChIInChI=1S/C29H33N3O2/c33-21-32-18-13-25(14-19-32)29(34)30-15-20-31-16-11-24(12-17-31)28-26-7-3-1-5-22(26)9-10-23-6-2-4-8-27(23)28/h1-10,21,25H,11-20H2,(H,30,34)/p+1
InChIKeyBSPMYKLEFGUTSI-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
AT-1015(1+) (CHEBI:234342) is a piperidinium ion (CHEBI:48633)
AT-1015(1+) (CHEBI:234342) is conjugate acid of AT-1015 free base (CHEBI:234339)
Incoming Relation(s)
AT-1015 hydrochloride (CHEBI:228366) has part AT-1015(1+) (CHEBI:234342)
AT-1015 free base (CHEBI:234339) is conjugate base of AT-1015(1+) (CHEBI:234342)
IUPAC Name 
4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-(2-{[(1-formylpiperidin-4-yl)carbonyl]amino}ethyl)piperidinium
Synonym  Source
AT-1015 cationChEBI