(3S)-3-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-cyclohexyl-1-piperazine-1,4-diiumyl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-quinone Formula: C20H28FN3O2+2 MolecularWeight: 361.453623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)[NH+]2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H26FN3O2/c21-16-8-4-5-9-17(16)24-19(25)14-18(20(24)26)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h4-5,8-9,15,18H,1-3,6-7,10-14H2/p+2/t18-/m0/s1