(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-quinone Formula: C20H21FN3O2+ MolecularWeight: 354.398043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O2/c21-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)17-4-2-1-3-5-17/h1-9,18H,10-14H2/p+1/t18-/m0/s1