1-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-oxidanidyl-3-phenyl-quinoxalin-4-ium-2-one

Systemtic Name: 1-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-oxidanidyl-3-phenyl-quinoxalin-4-ium-2-one Openeye Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-oxido-3-phenyl-quinoxalin-4-ium-2-one CAS Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-oxido-3-phenyl-2-quinoxalin-4-iumone IUPAC Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-oxido-3-phenylquinoxalin-4-ium-2-one Traditional Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-oxido-3-phenyl-quinoxalin-4-ium-2-one Formula: C27H28N2O4 MolecularWeight: 444.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CC=C4)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CC=C4)[O-])O

InChI

InChI=1S/C27H28N2O4/c1-27(2,3)20-13-15-22(16-14-20)33-18-21(30)17-28-23-11-7-8-12-24(23)29(32)25(26(28)31)19-9-5-4-6-10-19/h4-16,21,30H,17-18H2,1-3H3