CHEBI:64204 - methiothepin(2+)

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ChEBI Name methiothepin(2+) ChEBI ID CHEBI:64204 Definition A doubly-charged organic cation arising from protonation of the two tertiary amino functions of methiothepin. 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 C20H26N2S2 Net Charge +2 Average Mass 358.56400 Monoisotopic Mass 358.15264 InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/p+2 InChIKey RLJFTICUTYVZDG-UHFFFAOYSA-P SMILES CSc1ccc2Sc3ccccc3CC([NH+]3CC[NH+](C)CC3)c2c1 ChEBI Ontology Outgoing methiothepin(2+) (CHEBI:64204) is a ammonium ion derivative (CHEBI:35274) methiothepin(2+) (CHEBI:64204) is a organic cation (CHEBI:25697) methiothepin(2+) (CHEBI:64204) is conjugate acid of methiothepin (CHEBI:64203) Incoming methiothepin maleate (CHEBI:64202) has part methiothepin(2+) (CHEBI:64204) methiothepin (CHEBI:64203) is conjugate base of methiothepin(2+) (CHEBI:64204) IUPAC Name 1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazinediium Synonym Source methiothepin cation ChEBI Last Modified 16 March 2012