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CHEBI:189545 - ICR 340(2+)

Default Structure
ChEBI IDCHEBI:189545
ChEBI NameICR 340(2+)
Stars
DefinitionAn ammonium ion that is ICR 340 (free base) in which the tertiary amino group and the nitrogen of the benzonaphthpyridine ring are protonated.
Last Modified20 August 2024
SubmitterAdnan
DownloadsMolfile
FormulaC20H26Cl2N4O
Net Charge+2
Average Mass409.361
Monoisotopic Mass408.14727
SMILESCC[NH+](CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)[nH+]c12
InChIInChI=1S/C20H24Cl2N4O/c1-3-26(12-9-21)11-4-10-23-19-15-6-5-14(22)13-17(15)24-16-7-8-18(27-2)25-20(16)19/h5-8,13H,3-4,9-12H2,1-2H3,(H,23,24)/p+2
InChIKeyRONPMXQSZMYCGD-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
ICR 340(2+) (CHEBI:189545) is a ammonium ion derivative (CHEBI:35274)
ICR 340(2+) (CHEBI:189545) is conjugate acid of ICR 340 (free base) (CHEBI:189532)
Incoming Relation(s)
ICR 340 (CHEBI:189531) has part ICR 340(2+) (CHEBI:189545)
ICR 340 (free base) (CHEBI:189532) is conjugate base of ICR 340(2+) (CHEBI:189545)
IUPAC Name 
7-chloro-10-({3-[(2-chloroethyl)(ethyl)azaniumyl]propyl}amino)-2-methoxybenzo[b][1,5]naphthyridin-1-ium
Synonyms  Source
ICR-340(2+)ChEBI
ICR 340 dicationChEBI
ICR-340 dicationChEBI