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CHEBI:64383 - pentamidinium(2+)

ChEBI IDCHEBI:64383
ChEBI Namepentamidinium(2+)
Stars
DefinitionA carboxamidinium ion obtained by protonation of both amindino groups of pentamidine.
Last Modified4 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H26N4O2
Net Charge+2
Average Mass342.443
Monoisotopic Mass342.20448
SMILESNC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1
InChIInChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)/p+2
InChIKeyXDRYMKDFEDOLFX-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
pentamidinium(2+) (CHEBI:64383) is a carboxamidinium ion (CHEBI:77718)
pentamidinium(2+) (CHEBI:64383) is conjugate acid of pentamidine (CHEBI:45081)
Incoming Relation(s)
pentamidine isethionate (CHEBI:7977) has part pentamidinium(2+) (CHEBI:64383)
pentamidine (CHEBI:45081) is conjugate base of pentamidinium(2+) (CHEBI:64383)
IUPAC Name 
[pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium)
Synonyms  Source
pentamidinium cationChEBI
pentamidine dicationChEBI
pentamidine(2+)ChEBI
pentamidinium dicationChEBI