1,1,4-trimethyl-4-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide

Systemtic Name: 1,1,4-trimethyl-4-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide Openeye Name: 1,1,4-trimethyl-4-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide CAS Name: 1,1,4-trimethyl-4-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide IUPAC Name: 1,1,4-trimethyl-4-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide Traditional Name: 1,1,4-trimethyl-4-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide Formula: C21H30I2N2O2 MolecularWeight: 596.28404

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC[N+](CC1)(C)CCOC2=CC=C(C=C2)OC3=CC=CC=C3)C.[I-].[I-]

Isomeric SMILES

C[N+]1(CC[N+](CC1)(C)CCOC2=CC=C(C=C2)OC3=CC=CC=C3)C.[I-].[I-]

InChI

InChI=1S/C21H30N2O2.2HI/c1-22(2)13-15-23(3,16-14-22)17-18-24-19-9-11-21(12-10-19)25-20-7-5-4-6-8-20;;/h4-12H,13-18H2,1-3H3;2*1H/q+2;;/p-2