1,3,3-trimethyl-1-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide

Systemtic Name: 1,3,3-trimethyl-1-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide Openeye Name: 1,3,3-trimethyl-1-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide CAS Name: 1,3,3-trimethyl-1-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide IUPAC Name: 1,3,3-trimethyl-1-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide Traditional Name: 1,3,3-trimethyl-1-[2-(4-phenoxyphenoxy)ethyl]piperazine-1,4-diium diiodide Formula: C21H30I2N2O2 MolecularWeight: 596.28404

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](CC[NH2+]1)(C)CCOC2=CC=C(C=C2)OC3=CC=CC=C3)C.[I-].[I-]

Isomeric SMILES

CC1(C[N+](CC[NH2+]1)(C)CCOC2=CC=C(C=C2)OC3=CC=CC=C3)C.[I-].[I-]

InChI

InChI=1S/C21H29N2O2.2HI/c1-21(2)17-23(3,14-13-22-21)15-16-24-18-9-11-20(12-10-18)25-19-7-5-4-6-8-19;;/h4-12,22H,13-17H2,1-3H3;2*1H/q+1;;/p-1