2-[4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethyl ethanoate diiodide

Systemtic Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethyl ethanoate diiodide Openeye Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethyl acetate diiodide CAS Name: acetic acid 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethyl-1-piperazine-1,4-diiumyl]ethyl ester diiodide IUPAC Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethylpiperazine-1,4-diium-1-yl]ethyl acetate diiodide Traditional Name: acetic acid 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethyl ester diiodide Formula: C26H36F2I2N2O2 MolecularWeight: 700.381986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC[N+]1(CC[N+](CC1)(C)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C.[I-].[I-]

Isomeric SMILES

CC(=O)OCC[N+]1(CC[N+](CC1)(C)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C.[I-].[I-]

InChI

InChI=1S/C26H36F2N2O2.2HI/c1-21(31)32-20-19-30(3)17-15-29(2,16-18-30)14-4-5-26(22-6-10-24(27)11-7-22)23-8-12-25(28)13-9-23;;/h6-13,26H,4-5,14-20H2,1-3H3;2*1H/q+2;;/p-2