3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(4-fluorophenyl)pyrrole-2,5-dione

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(4-fluorophenyl)pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrrole-2,5-dione CAS Name: 3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-(4-fluorophenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)-3-pyrroline-2,5-quinone Formula: C27H25FN3O2+ MolecularWeight: 442.504703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24FN3O2/c28-22-11-13-23(14-12-22)31-25(32)19-24(27(31)33)29-15-17-30(18-16-29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,26H,15-18H2/p+1