3-(4-decoxyphenyl)-4-oxidanidyl-1-phenylmethoxy-quinoxalin-4-ium-2-one

Systemtic Name: 3-(4-decoxyphenyl)-4-oxidanidyl-1-phenylmethoxy-quinoxalin-4-ium-2-one Openeye Name: 1-benzyloxy-3-(4-decoxyphenyl)-4-oxido-quinoxalin-4-ium-2-one CAS Name: 3-(4-decoxyphenyl)-4-oxido-1-phenylmethoxy-2-quinoxalin-4-iumone IUPAC Name: 3-(4-decoxyphenyl)-4-oxido-1-phenylmethoxyquinoxalin-4-ium-2-one Traditional Name: 1-benzoxy-3-(4-decoxyphenyl)-4-oxido-quinoxalin-4-ium-2-one Formula: C31H36N2O4 MolecularWeight: 500.62854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C31H36N2O4/c1-2-3-4-5-6-7-8-14-23-36-27-21-19-26(20-22-27)30-31(34)33(37-24-25-15-10-9-11-16-25)29-18-13-12-17-28(29)32(30)35/h9-13,15-22H,2-8,14,23-24H2,1H3