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

Systemtic Name: ethanedioic acid; 1-[3-(2-iodanyl-4-methyl-phenoxy)propyl]piperazine Openeye Name: 1-[3-(2-iodo-4-methyl-phenoxy)propyl]piperazine; oxalic acid CAS Name: 1-[3-(2-iodo-4-methylphenoxy)propyl]piperazine; oxalic acid IUPAC Name: 1-[3-(2-iodo-4-methylphenoxy)propyl]piperazine; oxalic acid Traditional Name: 1-[3-(2-iodo-4-methyl-phenoxy)propyl]piperazine; oxalic acid Formula: C16H23IN2O5 MolecularWeight: 450.26869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCN2CCNCC2)I.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCN2CCNCC2)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21IN2O.C2H2O4/c1-12-3-4-14(13(15)11-12)18-10-2-7-17-8-5-16-6-9-17;3-1(4)2(5)6/h3-4,11,16H,2,5-10H2,1H3;(H,3,4)(H,5,6)