1-(4-hexoxyphenyl)-3-(4-methyl-3-oxidanyl-2-phenyl-3H-pyrazol-2-ium-5-yl)pyrrolidine-2,5-dione

Systemtic Name: 1-(4-hexoxyphenyl)-3-(4-methyl-3-oxidanyl-2-phenyl-3H-pyrazol-2-ium-5-yl)pyrrolidine-2,5-dione Openeye Name: 1-(4-hexoxyphenyl)-3-(3-hydroxy-4-methyl-2-phenyl-3H-pyrazol-2-ium-5-yl)pyrrolidine-2,5-dione CAS Name: 1-(4-hexoxyphenyl)-3-(3-hydroxy-4-methyl-2-phenyl-3H-pyrazol-2-ium-5-yl)pyrrolidine-2,5-dione IUPAC Name: 1-(4-hexoxyphenyl)-3-(3-hydroxy-4-methyl-2-phenyl-3H-pyrazol-2-ium-5-yl)pyrrolidine-2,5-dione Traditional Name: 1-(4-hexoxyphenyl)-3-(3-hydroxy-4-methyl-2-phenyl-3H-pyrazol-2-ium-5-yl)pyrrolidine-2,5-quinone Formula: C26H30N3O4+ MolecularWeight: 448.5341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=C(C([N+](=N3)C4=CC=CC=C4)O)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=C(C([N+](=N3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C26H30N3O4/c1-3-4-5-9-16-33-21-14-12-19(13-15-21)28-23(30)17-22(26(28)32)24-18(2)25(31)29(27-24)20-10-7-6-8-11-20/h6-8,10-15,22,25,31H,3-5,9,16-17H2,1-2H3/q+1