(3S)-1-[2,4-bis(fluoranyl)phenyl]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-[2,4-bis(fluoranyl)phenyl]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2,4-difluorophenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(2,4-difluorophenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2,4-difluorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(2,4-difluorophenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C15H17F2N2O2+ MolecularWeight: 295.304486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C15H16F2N2O2/c16-10-4-5-12(11(17)8-10)19-14(20)9-13(15(19)21)18-6-2-1-3-7-18/h4-5,8,13H,1-3,6-7,9H2/p+1/t13-/m0/s1