2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(3,4,5-trimethoxybenzyl)ammonium dibinoxalate Formula: C23H27N3O11 MolecularWeight: 521.47398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)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(=CC(=C1OC)OC)C[NH2+]CC[N+]2=CNC3=CC=CC=C32.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H23N3O3.2C2H2O4/c1-23-17-10-14(11-18(24-2)19(17)25-3)12-20-8-9-22-13-21-15-6-4-5-7-16(15)22;2*3-1(4)2(5)6/h4-7,10-11,13,20H,8-9,12H2,1-3H3;2*(H,3,4)(H,5,6)