(3S)-1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-chloro-4-fluorophenyl)-3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-chloro-4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-3-[4-(2-furoyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C19H18ClFN3O4+ MolecularWeight: 406.815323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)C(=O)C4=CC=CO4

InChI

InChI=1S/C19H17ClFN3O4/c20-13-10-12(3-4-14(13)21)24-17(25)11-15(18(24)26)22-5-7-23(8-6-22)19(27)16-2-1-9-28-16/h1-4,9-10,15H,5-8,11H2/p+1/t15-/m0/s1