4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-(4-methylphenyl)-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione

Systemtic Name: 4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-(4-methylphenyl)-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(4-methoxyphenyl)methylene]-1-(2-piperazine-1,4-diium-1-ylethyl)-5-(p-tolyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-[2-(1-piperazine-1,4-diiumyl)ethyl]pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(4-methoxyphenyl)methylene]-1-(2-piperazine-1,4-diium-1-ylethyl)-5-(p-tolyl)pyrrolidine-2,3-quinone Formula: C25H31N3O4+2 MolecularWeight: 437.53134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC)O)C(=O)C(=O)N2CC[NH+]4CC[NH2+]CC4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC)O)C(=O)C(=O)N2CC[NH+]4CC[NH2+]CC4

InChI

InChI=1S/C25H29N3O4/c1-17-3-5-18(6-4-17)22-21(23(29)19-7-9-20(32-2)10-8-19)24(30)25(31)28(22)16-15-27-13-11-26-12-14-27/h3-10,22,26,29H,11-16H2,1-2H3/p+2