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

Systemtic Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-quinone Formula: C22H21FN3O2S+ MolecularWeight: 410.484443

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)C4CC(=O)N(C4=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)[C@H]4CC(=O)N(C4=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H20FN3O2S/c23-15-5-7-16(8-6-15)26-20(27)13-18(22(26)28)25-11-9-14(10-12-25)21-24-17-3-1-2-4-19(17)29-21/h1-8,14,18H,9-13H2/p+1/t18-/m0/s1