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CHEBI:94552 - sepantronium

ChEBI IDCHEBI:94552
ChEBI Namesepantronium
Stars
DefinitionAn organic cation that is 1-(2-methoxyethyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione in which the nitrogen at position 3 of the napthoimidazole moiety has been alkylated by a pyrazin-2-ylmethyl group.
Secondary ChEBI IDCHEBI:139606
Last Modified7 February 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H19N4O3
Net Charge+1
Average Mass363.397
Monoisotopic Mass363.14517
SMILESCOCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1
InChIKeyOTSOOHRUMBRSHZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
sepantronium (CHEBI:94552) is a organic cation (CHEBI:25697)
Incoming Relation(s)
sepantronium bromide (CHEBI:139608) has part sepantronium (CHEBI:94552)
IUPAC Name 
1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-ium
Synonym  Source
3-(2-methoxyethyl)-2-methyl-4,9-dioxo-1-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-iumIUPAC
Manual XrefsDatabases
LSM-5399LINCS
Registry NumbersSources
CAS:753440-91-4ChemIDplus