2-butyl-1-oxidanidyl-3-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenoxy]quinoxalin-1-ium

Systemtic Name: 2-butyl-1-oxidanidyl-3-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenoxy]quinoxalin-1-ium Openeye Name: 2-butyl-1-oxido-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoxalin-1-ium CAS Name: 2-butyl-1-oxido-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoxalin-1-ium IUPAC Name: 2-butyl-1-oxido-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoxalin-1-ium Traditional Name: 2-butyl-1-oxido-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoxalin-1-ium Formula: C25H22N6O2 MolecularWeight: 438.48118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C2=CC=CC=C2N=C1OC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)[O-]

Isomeric SMILES

CCCCC1=[N+](C2=CC=CC=C2N=C1OC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)[O-]

InChI

InChI=1S/C25H22N6O2/c1-2-3-11-23-25(26-21-10-6-7-12-22(21)31(23)32)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-10,12-16H,2-3,11H2,1H3,(H,27,28,29,30)