(3S)-1-(4-fluorophenyl)-3-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-fluorophenyl)-3-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-fluorophenyl)-3-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-fluorophenyl)-3-[4-[oxo(1-piperidinyl)methyl]-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-fluorophenyl)-3-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-fluorophenyl)-3-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)C(=O)C2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FN3O3/c22-16-4-6-17(7-5-16)25-19(26)14-18(21(25)28)23-12-8-15(9-13-23)20(27)24-10-2-1-3-11-24/h4-7,15,18H,1-3,8-14H2/p+1/t18-/m0/s1