2-(3H-benzimidazol-1-ium-1-yl)ethyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-benzyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(phenylmethyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-benzylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-benzyl-ammonium dibinoxalate Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC[N+]2=CNC3=CC=CC=C32.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC[N+]2=CNC3=CC=CC=C32.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C16H17N3.2C2H2O4/c1-2-6-14(7-3-1)12-17-10-11-19-13-18-15-8-4-5-9-16(15)19;2*3-1(4)2(5)6/h1-9,13,17H,10-12H2;2*(H,3,4)(H,5,6)