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

Systemtic Name: (3S)-1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-chloro-4-fluorophenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C19H20ClFN4O2+2 MolecularWeight: 390.839103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H18ClFN4O2/c20-14-11-13(4-5-15(14)21)25-18(26)12-16(19(25)27)23-7-9-24(10-8-23)17-3-1-2-6-22-17/h1-6,11,16H,7-10,12H2/p+2/t16-/m0/s1