3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzyl)piperidin-1-ium-3-yl]methanone binoxalate Formula: C24H27FN2O5 MolecularWeight: 442.479983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC(C[NH+](C1)CC2=CC=CC=C2F)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H25FN2O.C2H2O4/c23-21-10-4-3-8-19(21)14-24-12-5-9-20(15-24)22(26)25-13-11-17-6-1-2-7-18(17)16-25;3-1(4)2(5)6/h1-4,6-8,10,20H,5,9,11-16H2;(H,3,4)(H,5,6)