sepantronium (CHEBI:94552)

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ChEBI Name	sepantronium

ChEBI ID	CHEBI:94552

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:139606

Supplier Information

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Formula

C20H19N4O3

Net Charge

Average Mass

363.391

Monoisotopic Mass

363.14517

InChI

InChI=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

InChIKey

OTSOOHRUMBRSHZ-UHFFFAOYSA-N

SMILES

C1=CC=CC2=C1C(C=3N(C(=[N+](C3C2=O)CC=4N=CC=NC4)C)CCOC)=O

ChEBI Ontology
Outgoing	sepantronium (CHEBI:94552) is a organic cation (CHEBI:25697)

Incoming	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-ium	IUPAC

Registry Number	Type	Source
753440-91-4	CAS Registry Number	ChemIDplus

Last Modified

07 February 2018