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CHEBI:64193 - clobenpropit(2+)

ChEBI IDCHEBI:64193
ChEBI Nameclobenpropit(2+)
Stars
DefinitionA doubly-charged organic cation obtained by protonation of clobenpropit.
Last Modified15 March 2012
SubmitterSteve
DownloadsMolfile
Formula2H.C14H17ClN4S
Net Charge+2
Average Mass310.854
Monoisotopic Mass310.10080
SMILESN=C(NCc1ccc(Cl)cc1)SCCCc1cncn1.[H+].[H+]
InChIInChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)/p+2
InChIKeyUCAIEVHKDLMIFL-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
clobenpropit(2+) (CHEBI:64193) is a organic cation (CHEBI:25697)
clobenpropit(2+) (CHEBI:64193) is conjugate acid of clobenpropit (CHEBI:64177)
Incoming Relation(s)
clobenpropit dihydrobromide (CHEBI:64165) has part clobenpropit(2+) (CHEBI:64193)
clobenpropit (CHEBI:64177) is conjugate base of clobenpropit(2+) (CHEBI:64193)
Synonym  Source
clobenpropit dicationChEBI