[3-(4-methylpiperazin-4-ium-1-yl)phenyl] ethanoate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [3-(4-methylpiperazin-4-ium-1-yl)phenyl] ethanoate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; [3-(4-methylpiperazin-4-ium-1-yl)phenyl] acetate CAS Name: acetic acid [3-(4-methyl-1-piperazin-4-iumyl)phenyl] ester; 2-hydroxy-2-oxoacetate IUPAC Name: 2-hydroxy-2-oxoacetate; [3-(4-methylpiperazin-4-ium-1-yl)phenyl] acetate Traditional Name: acetic acid [3-(4-methylpiperazin-4-ium-1-yl)phenyl] ester binoxalate Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)N2CC[NH+](CC2)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)N2CC[NH+](CC2)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C13H18N2O2.C2H2O4/c1-11(16)17-13-5-3-4-12(10-13)15-8-6-14(2)7-9-15;3-1(4)2(5)6/h3-5,10H,6-9H2,1-2H3;(H,3,4)(H,5,6)