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CHEBI:64082 - RS 39604(1+)

ChEBI IDCHEBI:64082
ChEBI NameRS 39604(1+)
Stars
DefinitionAn organic cation obtained by protonation of RS 39604.
Last Modified2 March 2012
SubmitterSteve
DownloadsMolfile
FormulaH.C26H36ClN3O6S
Net Charge+1
Average Mass555.117
Monoisotopic Mass554.20861
SMILESCOc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1.[H+]
InChIInChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3/p+1
InChIKeyBKVIWGRFRKLFIO-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
RS 39604(1+) (CHEBI:64082) is a ammonium ion derivative (CHEBI:35274)
RS 39604(1+) (CHEBI:64082) is a organic cation (CHEBI:25697)
Incoming Relation(s)
RS 39604 hydrochloride (CHEBI:64081) has part RS 39604(1+) (CHEBI:64082)
Synonym  Source
RS 39604 cationChEBI