1-[[2,6-bis(fluoranyl)phenyl]methoxy]-3-(4-decoxyphenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methoxy]-3-(4-decoxyphenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 3-(4-decoxyphenyl)-1-[(2,6-difluorophenyl)methoxy]-4-oxido-quinoxalin-4-ium-2-one CAS Name: 3-(4-decoxyphenyl)-1-[(2,6-difluorophenyl)methoxy]-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 3-(4-decoxyphenyl)-1-[(2,6-difluorophenyl)methoxy]-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 3-(4-decoxyphenyl)-1-(2,6-difluorobenzyl)oxy-4-oxido-quinoxalin-4-ium-2-one Formula: C31H34F2N2O4 MolecularWeight: 536.609466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=C(C=CC=C4F)F)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=C(C=CC=C4F)F)[O-]

InChI

InChI=1S/C31H34F2N2O4/c1-2-3-4-5-6-7-8-11-21-38-24-19-17-23(18-20-24)30-31(36)35(29-16-10-9-15-28(29)34(30)37)39-22-25-26(32)13-12-14-27(25)33/h9-10,12-20H,2-8,11,21-22H2,1H3