2-[3-[(4-iodophenyl)methyl]-1-methyl-2,5-bis(oxidanylidene)piperazin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-iodophenyl)methyl]-1-methyl-2,5-bis(oxidanylidene)piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-iodophenyl)methyl]-1-methyl-2,5-dioxo-piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[3-[(4-iodophenyl)methyl]-1-methyl-2,5-dioxo-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[3-[(4-iodophenyl)methyl]-1-methyl-2,5-dioxopiperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-(4-iodobenzyl)-2,5-diketo-1-methyl-piperazin-1-ium-1-yl]acetic acid Formula: C14H16IN2O4+ MolecularWeight: 403.19231

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=O)NC(C1=O)CC2=CC=C(C=C2)I)CC(=O)O

Isomeric SMILES

C[N+]1(CC(=O)NC(C1=O)CC2=CC=C(C=C2)I)CC(=O)O

InChI

InChI=1S/C14H15IN2O4/c1-17(8-13(19)20)7-12(18)16-11(14(17)21)6-9-2-4-10(15)5-3-9/h2-5,11H,6-8H2,1H3,(H-,16,18,19,20)/p+1