ethanedioic acid; 1-ethyl-4-[4-(2-iodanyl-4-methyl-phenoxy)butyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethyl-4-[4-(2-iodanyl-4-methyl-phenoxy)butyl]piperazine Openeye Name: 1-ethyl-4-[4-(2-iodo-4-methyl-phenoxy)butyl]piperazine; oxalic acid CAS Name: 1-ethyl-4-[4-(2-iodo-4-methylphenoxy)butyl]piperazine; oxalic acid IUPAC Name: 1-ethyl-4-[4-(2-iodo-4-methylphenoxy)butyl]piperazine; oxalic acid Traditional Name: 1-ethyl-4-[4-(2-iodo-4-methyl-phenoxy)butyl]piperazine; oxalic acid Formula: C19H29IN2O5 MolecularWeight: 492.34843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCCOC2=C(C=C(C=C2)C)I.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCCOC2=C(C=C(C=C2)C)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27IN2O.C2H2O4/c1-3-19-9-11-20(12-10-19)8-4-5-13-21-17-7-6-15(2)14-16(17)18;3-1(4)2(5)6/h6-7,14H,3-5,8-13H2,1-2H3;(H,3,4)(H,5,6)