[diethoxyphosphoryl(pyridin-4-yl)methyl]-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [diethoxyphosphoryl(pyridin-4-yl)methyl]-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: benzyl-[diethoxyphosphoryl(4-pyridyl)methyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [diethoxyphosphoryl(pyridin-4-yl)methyl]-(phenylmethyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: benzyl-[diethoxyphosphoryl(pyridin-4-yl)methyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: benzyl-[diethoxyphosphoryl(4-pyridyl)methyl]ammonium binoxalate Formula: C19H25N2O7P MolecularWeight: 424.384761

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=NC=C1)[NH2+]CC2=CC=CC=C2)OCC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCOP(=O)(C(C1=CC=NC=C1)[NH2+]CC2=CC=CC=C2)OCC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H23N2O3P.C2H2O4/c1-3-21-23(20,22-4-2)17(16-10-12-18-13-11-16)19-14-15-8-6-5-7-9-15;3-1(4)2(5)6/h5-13,17,19H,3-4,14H2,1-2H3;(H,3,4)(H,5,6)