2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethyl-ammonium dibinoxalate Formula: C18H25N3O9 MolecularWeight: 427.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CCOC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C14H21N3O.2C2H2O4/c1-3-16(4-2)9-10-18-12-17-11-15-13-7-5-6-8-14(13)17;2*3-1(4)2(5)6/h5-8,11H,3-4,9-10,12H2,1-2H3;2*(H,3,4)(H,5,6)