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CHEBI:67141 - hycanthone(1+)

ChEBI IDCHEBI:67141
ChEBI Namehycanthone(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of lycanthone.
Last Modified15 August 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H25N2O2S
Net Charge+1
Average Mass357.499
Monoisotopic Mass357.16313
SMILESCC[NH+](CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12
InChIInChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3/p+1
InChIKeyMFZWMTSUNYWVBU-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
hycanthone(1+) (CHEBI:67141) is a ammonium ion derivative (CHEBI:35274)
hycanthone(1+) (CHEBI:67141) is conjugate acid of hycanthone (CHEBI:52768)
Incoming Relation(s)
hycanthone mesylate (CHEBI:24624) has part hycanthone(1+) (CHEBI:67141)
hycanthone (CHEBI:52768) is conjugate base of hycanthone(1+) (CHEBI:67141)
IUPAC Name 
N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium
Registry NumbersSources
Reaxys:19574704Reaxys