1-[(4-tert-butylphenyl)methoxy]-3-(4-decoxyphenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one

Systemtic Name: 1-[(4-tert-butylphenyl)methoxy]-3-(4-decoxyphenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 1-[(4-tert-butylphenyl)methoxy]-3-(4-decoxyphenyl)-4-oxido-quinoxalin-4-ium-2-one CAS Name: 1-[(4-tert-butylphenyl)methoxy]-3-(4-decoxyphenyl)-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 1-[(4-tert-butylphenyl)methoxy]-3-(4-decoxyphenyl)-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 1-(4-tert-butylbenzyl)oxy-3-(4-decoxyphenyl)-4-oxido-quinoxalin-4-ium-2-one Formula: C35H44N2O4 MolecularWeight: 556.73486

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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=C(C=C4)C(C)(C)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C35H44N2O4/c1-5-6-7-8-9-10-11-14-25-40-30-23-19-28(20-24-30)33-34(38)37(32-16-13-12-15-31(32)36(33)39)41-26-27-17-21-29(22-18-27)35(2,3)4/h12-13,15-24H,5-11,14,25-26H2,1-4H3