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

Systemtic Name: (3S)-1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-phenylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-3-(4-phenylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenyl-1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-3-(4-phenylpiperidin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C21H21ClFN2O2+ MolecularWeight: 387.855043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O2/c22-17-12-16(6-7-18(17)23)25-20(26)13-19(21(25)27)24-10-8-15(9-11-24)14-4-2-1-3-5-14/h1-7,12,15,19H,8-11,13H2/p+1/t19-/m0/s1