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

Systemtic Name: 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-4-methyl-piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[1-[(4-fluorophenyl)methyl]-4-piperidinyl]-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-[1-(4-fluorobenzyl)-4-piperidyl]-4-methyl-piperazin-4-ium binoxalate Formula: C19H28FN3O4 MolecularWeight: 381.441723

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC=C(C=C3)F.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC=C(C=C3)F.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H26FN3.C2H2O4/c1-19-10-12-21(13-11-19)17-6-8-20(9-7-17)14-15-2-4-16(18)5-3-15;3-1(4)2(5)6/h2-5,17H,6-14H2,1H3;(H,3,4)(H,5,6)