CHEBI:67141 - hycanthone(1+)

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ChEBI Name hycanthone(1+) ChEBI ID CHEBI:67141 Definition An ammonium ion resulting from the protonation of the tertiary amino group of lycanthone. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H25N2O2S Net Charge +1 Average Mass 357.49000 Monoisotopic Mass 357.16313 InChI InChI=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 InChIKey MFZWMTSUNYWVBU-UHFFFAOYSA-O SMILES CC[NH+](CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 ChEBI Ontology Outgoing hycanthone(1+) (CHEBI:67141) is a ammonium ion derivative (CHEBI:35274) hycanthone(1+) (CHEBI:67141) is conjugate acid of hycanthone (CHEBI:52768) Incoming 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 Number Type Source 19574704 Reaxys Registry Number Reaxys Last Modified 15 August 2012