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

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methylphenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(p-tolylmethyl)ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methylphenyl)methyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methylphenyl)methyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(4-methylbenzyl)ammonium dibinoxalate Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C17H19N3.2C2H2O4/c1-14-6-8-15(9-7-14)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)