acetamido(3-phenylpropyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: acetamido(3-phenylpropyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: acetamido(3-phenylpropyl)ammonium; 2-hydroxy-2-oxo-acetate CAS Name: acetamido(3-phenylpropyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: acetamido(3-phenylpropyl)azanium; 2-hydroxy-2-oxoacetate Traditional Name: acetamido(3-phenylpropyl)ammonium binoxalate Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N[NH2+]CCCC1=CC=CC=C1.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(=O)N[NH2+]CCCC1=CC=CC=C1.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C11H16N2O.C2H2O4/c1-10(14)13-12-9-5-8-11-6-3-2-4-7-11;3-1(4)2(5)6/h2-4,6-7,12H,5,8-9H2,1H3,(H,13,14);(H,3,4)(H,5,6)