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CHEBI:64132 - NAN 190(1+)

ChEBI IDCHEBI:64132
ChEBI NameNAN 190(1+)
Stars
DefinitionAn organic cation obtained by selective protonation at position 1 of the piperidine ring in NAN 190.
Last Modified20 February 2013
SubmitterSteve
DownloadsMolfile
FormulaC23H28N3O3
Net Charge+1
Average Mass394.495
Monoisotopic Mass394.21252
SMILESCOc1ccccc1N1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3/p+1
InChIKeySJDOMIRMMUGQQK-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
NAN 190(1+) (CHEBI:64132) is a ammonium ion derivative (CHEBI:35274)
NAN 190(1+) (CHEBI:64132) is a organic cation (CHEBI:25697)
NAN 190(1+) (CHEBI:64132) is conjugate acid of NAN 190 (CHEBI:64131)
Incoming Relation(s)
NAN 190 hydrobromide (CHEBI:64123) has part NAN 190(1+) (CHEBI:64132)
NAN 190 (CHEBI:64131) is conjugate base of NAN 190(1+) (CHEBI:64132)
IUPAC Name 
1-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
Synonym  Source
NAN 190 cationChEBI