2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methoxyphenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methoxyphenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methoxyphenyl)methyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methoxyphenyl)methyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methoxyphenyl)methyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-p-anisyl-ammonium dibinoxalate Formula: C21H23N3O9 MolecularWeight: 461.42202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C17H19N3O.2C2H2O4/c1-21-15-8-6-14(7-9-15)12-18-10-11-20-13-19-16-4-2-3-5-17(16)20;2*3-1(4)2(5)6/h2-9,13,18H,10-12H2,1H3;2*(H,3,4)(H,5,6)