1-[(3-fluorophenyl)methyl]piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[(3-fluorophenyl)methyl]piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[(3-fluorophenyl)methyl]piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[(3-fluorophenyl)methyl]piperazin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[(3-fluorophenyl)methyl]piperazin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-(3-fluorobenzyl)piperazin-4-ium binoxalate Formula: C13H17FN2O4 MolecularWeight: 284.283483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC(=CC=C2)F.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC(=CC=C2)F.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C11H15FN2.C2H2O4/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14;3-1(4)2(5)6/h1-3,8,13H,4-7,9H2;(H,3,4)(H,5,6)