1-[(2-methoxyphenyl)methoxy]-4-oxidanidyl-3-(4-pentoxyphenyl)quinoxalin-4-ium-2-one

Systemtic Name: 1-[(2-methoxyphenyl)methoxy]-4-oxidanidyl-3-(4-pentoxyphenyl)quinoxalin-4-ium-2-one Openeye Name: 1-[(2-methoxyphenyl)methoxy]-4-oxido-3-(4-pentoxyphenyl)quinoxalin-4-ium-2-one CAS Name: 1-[(2-methoxyphenyl)methoxy]-4-oxido-3-(4-pentoxyphenyl)-2-quinoxalin-4-iumone IUPAC Name: 1-[(2-methoxyphenyl)methoxy]-4-oxido-3-(4-pentoxyphenyl)quinoxalin-4-ium-2-one Traditional Name: 3-(4-amoxyphenyl)-1-o-anisyloxy-4-oxido-quinoxalin-4-ium-2-one Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4OC)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4OC)[O-]

InChI

InChI=1S/C27H28N2O5/c1-3-4-9-18-33-22-16-14-20(15-17-22)26-27(30)29(24-12-7-6-11-23(24)28(26)31)34-19-21-10-5-8-13-25(21)32-2/h5-8,10-17H,3-4,9,18-19H2,1-2H3