2-[2-[4-[3-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-benzimidazol-3-ium-2-yl]butyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[4-[3-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-benzimidazol-3-ium-2-yl]butyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[4-[3-(2-oxido-2-oxo-ethyl)-1H-benzimidazol-3-ium-2-yl]butyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[4-[3-(2-oxido-2-oxoethyl)-1H-benzimidazol-3-ium-2-yl]butyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[4-[3-(2-oxido-2-oxoethyl)-1H-benzimidazol-3-ium-2-yl]butyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[4-[3-(2-keto-2-oxido-ethyl)-1H-benzimidazol-3-ium-2-yl]butyl]benzimidazol-1-yl]acetate Formula: C22H21N4O4- MolecularWeight: 405.42654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)[O-])CCCCC3=NC4=CC=CC=C4N3CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)[O-])CCCCC3=NC4=CC=CC=C4N3CC(=O)[O-]

InChI

InChI=1S/C22H22N4O4/c27-21(28)13-25-17-9-3-1-7-15(17)23-19(25)11-5-6-12-20-24-16-8-2-4-10-18(16)26(20)14-22(29)30/h1-4,7-10H,5-6,11-14H2,(H2,27,28,29,30)/p-1