azepan-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: azepan-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: azepan-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-azepanyl-[1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: azepan-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: azepan-1-yl-[1-(2-fluorobenzyl)piperidin-1-ium-3-yl]methanone binoxalate Formula: C21H29FN2O5 MolecularWeight: 408.463763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3F.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3F.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H27FN2O.C2H2O4/c20-18-10-4-3-8-16(18)14-21-11-7-9-17(15-21)19(23)22-12-5-1-2-6-13-22;3-1(4)2(5)6/h3-4,8,10,17H,1-2,5-7,9,11-15H2;(H,3,4)(H,5,6)