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

Systemtic Name: 1,3,3-trimethyl-1-[2-(4-phenethylphenoxy)ethyl]piperazine-1,4-diium diiodide Openeye Name: 1,3,3-trimethyl-1-[2-(4-phenethylphenoxy)ethyl]piperazine-1,4-diium diiodide CAS Name: 1,3,3-trimethyl-1-[2-(4-phenethylphenoxy)ethyl]piperazine-1,4-diium diiodide IUPAC Name: 1,3,3-trimethyl-1-[2-(4-phenethylphenoxy)ethyl]piperazine-1,4-diium diiodide Traditional Name: 1,3,3-trimethyl-1-[2-(4-phenethylphenoxy)ethyl]piperazine-1,4-diium diiodide Formula: C23H34I2N2O MolecularWeight: 608.3378

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](CC[NH2+]1)(C)CCOC2=CC=C(C=C2)CCC3=CC=CC=C3)C.[I-].[I-]

Isomeric SMILES

CC1(C[N+](CC[NH2+]1)(C)CCOC2=CC=C(C=C2)CCC3=CC=CC=C3)C.[I-].[I-]

InChI

InChI=1S/C23H33N2O.2HI/c1-23(2)19-25(3,16-15-24-23)17-18-26-22-13-11-21(12-14-22)10-9-20-7-5-4-6-8-20;;/h4-8,11-14,24H,9-10,15-19H2,1-3H3;2*1H/q+1;;/p-1