5-(4-hydroxyphenyl)-4-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(4-hydroxyphenyl)-4-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-5-(4-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-(4-hydroxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-5-(4-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-quinone Formula: C25H29N2O6+ MolecularWeight: 453.50756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=C(C=C4)O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=C(C=C4)O)O)OC

InChI

InChI=1S/C25H28N2O6/c1-16-15-18(5-8-20(16)32-2)23(29)21-22(17-3-6-19(28)7-4-17)27(25(31)24(21)30)10-9-26-11-13-33-14-12-26/h3-8,15,22,28-29H,9-14H2,1-2H3/p+1