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CHEBI:91077 - PD-153035(1+)

ChEBI IDCHEBI:91077
ChEBI NamePD-153035(1+)
Stars
DefinitionAn organic cation obtained by protonation of the secondary amino function of PD-153035.
Last Modified3 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H15BrN3O2
Net Charge+1
Average Mass361.219
Monoisotopic Mass360.03422
SMILESCOc1cc2ncnc([NH2+]c3cccc(Br)c3)c2cc1OC
InChIInChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)/p+1
InChIKeyLSPANGZZENHZNJ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
PD-153035(1+) (CHEBI:91077) is a ammonium ion derivative (CHEBI:35274)
PD-153035(1+) (CHEBI:91077) is a organic cation (CHEBI:25697)
PD-153035(1+) (CHEBI:91077) is conjugate acid of PD-153035 (CHEBI:91076)
Incoming Relation(s)
PD-153035 hydrochloride (CHEBI:91075) has part PD-153035(1+) (CHEBI:91077)
PD-153035 (CHEBI:91076) is conjugate base of PD-153035(1+) (CHEBI:91077)
IUPAC Name 
N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-aminium
Synonym  Source
PD-153035 cationChEBI