(3S)-1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-chloro-4-fluorophenyl)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C18H18ClFN5O2+ MolecularWeight: 390.819223

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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)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)C4=NC=CC=N4

InChI

InChI=1S/C18H17ClFN5O2/c19-13-10-12(2-3-14(13)20)25-16(26)11-15(17(25)27)23-6-8-24(9-7-23)18-21-4-1-5-22-18/h1-5,10,15H,6-9,11H2/p+1/t15-/m0/s1