CHEBI:157622 - buzepide(1+)

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ChEBI Name buzepide(1+)
ChEBI ID CHEBI:157622
Definition A tertiary ammonium ion that is the conjugate acid of buzepide, resulting from the protonation of the azepane tertiary amino group. Major microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H29N2O
Net Charge +1
Average Mass 337.486
Monoisotopic Mass 337.22744
InChI InChI=1S/C22H28N2O/c23-21(25)22(19-11-5-3-6-12-19,20-13-7-4-8-14-20)15-18-24-16-9-1-2-10-17-24/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25)/p+1
InChIKey SLJXUJZUTPFXRJ-UHFFFAOYSA-O
SMILES NC(=O)C(CC[NH+]1CCCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
ChEBI Ontology
Outgoing buzepide(1+) (CHEBI:157622) is a tertiary ammonium ion (CHEBI:137982)
buzepide(1+) (CHEBI:157622) is conjugate acid of buzepide (CHEBI:157619)
Incoming buzepide metiodide (CHEBI:135429) has part buzepide(1+) (CHEBI:157622)
buzepide (CHEBI:157619) is conjugate base of buzepide(1+) (CHEBI:157622)
IUPAC Name
1-(4-amino-4-oxo-3,3-diphenylbutyl)azepanium
Synonyms Sources
1-(4-amino-4-oxo-3,3-diphenylbutyl)azepan-1-ium IUPAC
buzepide cation ChEBI
Last Modified
09 October 2020