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

Systemtic Name: 4-oxidanidyl-1-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]-3-phenyl-quinoxalin-4-ium-2-one Openeye Name: 1-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-4-oxido-3-phenyl-quinoxalin-4-ium-2-one CAS Name: 1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-oxido-3-phenyl-2-quinoxalin-4-iumone IUPAC Name: 1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-oxido-3-phenylquinoxalin-4-ium-2-one Traditional Name: 1-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-4-oxido-3-phenyl-quinoxalin-4-ium-2-one Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CC=C4)[O-])O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CN2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CC=C4)[O-])O

InChI

InChI=1S/C26H26N2O4/c1-18(2)21-12-6-9-15-24(21)32-17-20(29)16-27-22-13-7-8-14-23(22)28(31)25(26(27)30)19-10-4-3-5-11-19/h3-15,18,20,29H,16-17H2,1-2H3