[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-methyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [1-[(4-fluorophenyl)methyl]piperidin-4-yl]-methyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: benzyl-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-methyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [1-[(4-fluorophenyl)methyl]-4-piperidinyl]-methyl-(phenylmethyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: benzyl-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-methylazanium; 2-hydroxy-2-oxoacetate Traditional Name: benzyl-[1-(4-fluorobenzyl)-4-piperidyl]-methyl-ammonium binoxalate Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCN(CC2)CC3=CC=C(C=C3)F.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2CCN(CC2)CC3=CC=C(C=C3)F.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H25FN2.C2H2O4/c1-22(15-17-5-3-2-4-6-17)20-11-13-23(14-12-20)16-18-7-9-19(21)10-8-18;3-1(4)2(5)6/h2-10,20H,11-16H2,1H3;(H,3,4)(H,5,6)