3-(diphenylmethylidene)-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrrolidine-2,5-dione

Systemtic Name: 3-(diphenylmethylidene)-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrrolidine-2,5-dione Openeye Name: 3-benzhydrylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrrolidine-2,5-dione CAS Name: 3-(diphenylmethylene)-1-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]pyrrolidine-2,5-dione IUPAC Name: 3-benzhydrylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrrolidine-2,5-dione Traditional Name: 3-benzhydrylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrrolidine-2,5-quinone Formula: C29H30N3O2+ MolecularWeight: 452.5674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2=O)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2/c33-27-22-26(28(23-10-4-1-5-11-23)24-12-6-2-7-13-24)29(34)32(27)21-18-30-16-19-31(20-17-30)25-14-8-3-9-15-25/h1-15H,16-22H2/p+1