1-[(2-fluorophenyl)methoxy]-3-[4-(3-methylbutoxy)phenyl]-4-oxidanidyl-quinoxalin-4-ium-2-one

Systemtic Name: 1-[(2-fluorophenyl)methoxy]-3-[4-(3-methylbutoxy)phenyl]-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 1-[(2-fluorophenyl)methoxy]-3-(4-isopentyloxyphenyl)-4-oxido-quinoxalin-4-ium-2-one CAS Name: 1-[(2-fluorophenyl)methoxy]-3-[4-(3-methylbutoxy)phenyl]-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 1-[(2-fluorophenyl)methoxy]-3-[4-(3-methylbutoxy)phenyl]-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 1-(2-fluorobenzyl)oxy-3-(4-isoamoxyphenyl)-4-oxido-quinoxalin-4-ium-2-one Formula: C26H25FN2O4 MolecularWeight: 448.486103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4F)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4F)[O-]

InChI

InChI=1S/C26H25FN2O4/c1-18(2)15-16-32-21-13-11-19(12-14-21)25-26(30)29(24-10-6-5-9-23(24)28(25)31)33-17-20-7-3-4-8-22(20)27/h3-14,18H,15-17H2,1-2H3