2-oxidanyl-2-oxidanylidene-ethanoate; 2-phenyl-N-piperidin-1-ium-1-yl-propanamide

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 2-phenyl-N-piperidin-1-ium-1-yl-propanamide Openeye Name: 2-hydroxy-2-oxo-acetate; 2-phenyl-N-piperidin-1-ium-1-yl-propanamide CAS Name: 2-hydroxy-2-oxoacetate; 2-phenyl-N-(1-piperidin-1-iumyl)propanamide IUPAC Name: 2-hydroxy-2-oxoacetate; 2-phenyl-N-piperidin-1-ium-1-ylpropanamide Traditional Name: 2-phenyl-N-piperidin-1-ium-1-yl-propionamide binoxalate Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)N[NH+]2CCCCC2.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)N[NH+]2CCCCC2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C14H20N2O.C2H2O4/c1-12(13-8-4-2-5-9-13)14(17)15-16-10-6-3-7-11-16;3-1(4)2(5)6/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,15,17);(H,3,4)(H,5,6)