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CHEBI:63706 - pergolide(1+)

ChEBI IDCHEBI:63706
ChEBI Namepergolide(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the piperidine nitrogen of pergolide.
Last Modified20 January 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H27N2S
Net Charge+1
Average Mass315.506
Monoisotopic Mass315.18895
SMILES[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@@H](CSC)C[NH+]2CCC
InChIInChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/p+1/t13-,16-,18-/m1/s1
InChIKeyYEHCICAEULNIGD-MZMPZRCHSA-O
ChEBI Ontology
Outgoing Relation(s)
pergolide(1+) (CHEBI:63706) is a ammonium ion derivative (CHEBI:35274)
pergolide(1+) (CHEBI:63706) is conjugate acid of pergolide (CHEBI:63617)
Incoming Relation(s)
pergolide mesylate (CHEBI:8021) has part pergolide(1+) (CHEBI:63706)
pergolide (CHEBI:63617) is conjugate base of pergolide(1+) (CHEBI:63706)
IUPAC Name 
(8β)-8-[(methylsulfanyl)methyl]-6-propylergolin-6-ium