ethanedioic acid; 1-ethyl-4-[3-(2-iodanyl-4-methyl-phenoxy)propyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethyl-4-[3-(2-iodanyl-4-methyl-phenoxy)propyl]piperazine Openeye Name: 1-ethyl-4-[3-(2-iodo-4-methyl-phenoxy)propyl]piperazine; oxalic acid CAS Name: 1-ethyl-4-[3-(2-iodo-4-methylphenoxy)propyl]piperazine; oxalic acid IUPAC Name: 1-ethyl-4-[3-(2-iodo-4-methylphenoxy)propyl]piperazine; oxalic acid Traditional Name: 1-ethyl-4-[3-(2-iodo-4-methyl-phenoxy)propyl]piperazine; oxalic acid Formula: C18H27IN2O5 MolecularWeight: 478.32185

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCOC2=C(C=C(C=C2)C)I.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCOC2=C(C=C(C=C2)C)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25IN2O.C2H2O4/c1-3-18-8-10-19(11-9-18)7-4-12-20-16-6-5-14(2)13-15(16)17;3-1(4)2(5)6/h5-6,13H,3-4,7-12H2,1-2H3;(H,3,4)(H,5,6)