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

Systemtic Name: 2-[3-[(4-iodophenyl)methyl]-4-methyl-1-oxidanidyl-2-oxidanylidene-piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-iodophenyl)methyl]-4-methyl-1-oxido-2-oxo-piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[3-[(4-iodophenyl)methyl]-4-methyl-1-oxido-2-oxo-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[3-[(4-iodophenyl)methyl]-4-methyl-1-oxido-2-oxopiperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-(4-iodobenzyl)-2-keto-4-methyl-1-oxido-piperazin-1-ium-1-yl]acetic acid Formula: C14H17IN2O4 MolecularWeight: 404.20025

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](C(=O)C1CC2=CC=C(C=C2)I)(CC(=O)O)[O-]

Isomeric SMILES

CN1CC[N+](C(=O)C1CC2=CC=C(C=C2)I)(CC(=O)O)[O-]

InChI

InChI=1S/C14H17IN2O4/c1-16-6-7-17(21,9-13(18)19)14(20)12(16)8-10-2-4-11(15)5-3-10/h2-5,12H,6-9H2,1H3,(H,18,19)