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

Systemtic Name: (3R)-1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-chloro-4-fluoro-phenyl)-3-[4-(4-pyridyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-chloro-4-fluorophenyl)-3-(4-pyridin-4-yl-1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-chloro-4-fluorophenyl)-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(3-chloro-4-fluoro-phenyl)-3-[4-(4-pyridyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C20H20ClFN3O2+ MolecularWeight: 388.843103

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=NC=C2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1C[NH+](CCC1C2=CC=NC=C2)[C@@H]3CC(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H19ClFN3O2/c21-16-11-15(1-2-17(16)22)25-19(26)12-18(20(25)27)24-9-5-14(6-10-24)13-3-7-23-8-4-13/h1-4,7-8,11,14,18H,5-6,9-10,12H2/p+1/t18-/m1/s1