N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methyl-butanamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methyl-butanamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methyl-butanamide; 2-hydroxy-2-oxo-acetate CAS Name: N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide; 2-hydroxy-2-oxoacetate IUPAC Name: N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide; 2-hydroxy-2-oxoacetate Traditional Name: N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methyl-butyramide binoxalate Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O.C2H2O4/c1-11(2)9-14(18)15-7-8-17-10-16-12-5-3-4-6-13(12)17;3-1(4)2(5)6/h3-6,10-11H,7-9H2,1-2H3,(H,15,18);(H,3,4)(H,5,6)