3-(3,4-dimethoxyphenyl)-4-oxidanidyl-1-(pyridin-2-ylmethoxy)quinoxalin-4-ium-2-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-oxidanidyl-1-(pyridin-2-ylmethoxy)quinoxalin-4-ium-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-oxido-1-(2-pyridylmethoxy)quinoxalin-4-ium-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-oxido-1-(2-pyridinylmethoxy)-2-quinoxalin-4-iumone IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-oxido-1-(pyridin-2-ylmethoxy)quinoxalin-4-ium-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-oxido-1-(2-pyridylmethoxy)quinoxalin-4-ium-2-one Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=N4)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=N4)[O-])OC

InChI

InChI=1S/C22H19N3O5/c1-28-19-11-10-15(13-20(19)29-2)21-22(26)25(30-14-16-7-5-6-12-23-16)18-9-4-3-8-17(18)24(21)27/h3-13H,14H2,1-2H3