3-(diphenylmethylidene)-1-[4-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]pyrrolidine-2,5-dione

Systemtic Name: 3-(diphenylmethylidene)-1-[4-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]pyrrolidine-2,5-dione Openeye Name: 3-benzhydrylidene-1-[4-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]pyrrolidine-2,5-dione CAS Name: 3-(diphenylmethylene)-1-[4-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]butyl]pyrrolidine-2,5-dione IUPAC Name: 3-benzhydrylidene-1-[4-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]pyrrolidine-2,5-dione Traditional Name: 3-benzhydrylidene-1-[4-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]pyrrolidine-2,5-quinone Formula: C31H33N4O4+ MolecularWeight: 525.61812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H32N4O4/c36-29-23-28(30(24-9-3-1-4-10-24)25-11-5-2-6-12-25)31(37)34(29)18-8-7-17-32-19-21-33(22-20-32)26-13-15-27(16-14-26)35(38)39/h1-6,9-16H,7-8,17-23H2/p+1