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

Systemtic Name: 3-(diphenylmethylidene)-1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]pyrrolidine-2,5-dione Openeye Name: 3-benzhydrylidene-1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]pyrrolidine-2,5-dione CAS Name: 3-(diphenylmethylene)-1-[4-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]butyl]pyrrolidine-2,5-dione IUPAC Name: 3-benzhydrylidene-1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]pyrrolidine-2,5-dione Traditional Name: 3-benzhydrylidene-1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]pyrrolidine-2,5-quinone Formula: C32H36N3O3+ MolecularWeight: 510.64654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CCCCN3C(=O)CC(=C(C4=CC=CC=C4)C5=CC=CC=C5)C3=O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CCCCN3C(=O)CC(=C(C4=CC=CC=C4)C5=CC=CC=C5)C3=O

InChI

InChI=1S/C32H35N3O3/c1-38-29-17-9-8-16-28(29)34-22-20-33(21-23-34)18-10-11-19-35-30(36)24-27(32(35)37)31(25-12-4-2-5-13-25)26-14-6-3-7-15-26/h2-9,12-17H,10-11,18-24H2,1H3/p+1