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CHEBI:114342 - N-[3-(4-tert-butyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide

ChEBI IDCHEBI:114342
ChEBI NameN-[3-(4-tert-butyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
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Last Modified7 June 2016
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FormulaC25H23N2O4S
Net Charge+1
Average Mass447.536
Monoisotopic Mass447.13730
SMILESCC(C)(C)c1cc[n+](C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H22N2O4S/c1-25(2,3)17-13-15-27(16-14-17)22-21(26-32(30,31)18-9-5-4-6-10-18)23(28)19-11-7-8-12-20(19)24(22)29/h4-16H,1-3H3/p+1
InChIKeyQFLMQIMVEYAESD-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
N-[3-(4-tert-butyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide (CHEBI:114342) is a pyridinium ion (CHEBI:50334)
Manual XrefsDatabases
LSM-25802LINCS