2-[1-[(4-iodophenyl)methyl]-2,5-bis(oxidanylidene)piperazin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-iodophenyl)methyl]-2,5-bis(oxidanylidene)piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-[(4-iodophenyl)methyl]-2,5-dioxo-piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[(4-iodophenyl)methyl]-2,5-dioxo-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[1-[(4-iodophenyl)methyl]-2,5-dioxopiperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(4-iodobenzyl)-2,5-diketo-piperazin-1-ium-1-yl]acetic acid Formula: C13H14IN2O4+ MolecularWeight: 389.16573

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)[N+](CC(=O)N1)(CC2=CC=C(C=C2)I)CC(=O)O

Isomeric SMILES

C1C(=O)[N+](CC(=O)N1)(CC2=CC=C(C=C2)I)CC(=O)O

InChI

InChI=1S/C13H13IN2O4/c14-10-3-1-9(2-4-10)6-16(8-13(19)20)7-11(17)15-5-12(16)18/h1-4H,5-8H2,(H-,15,17,19,20)/p+1