methyl 2-[2-(3-methylbenzimidazol-3-ium-1-yl)ethanoylamino]benzoate iodide

Systemtic Name: methyl 2-[2-(3-methylbenzimidazol-3-ium-1-yl)ethanoylamino]benzoate iodide Openeye Name: methyl 2-[[2-(3-methylbenzimidazol-3-ium-1-yl)acetyl]amino]benzoate iodide CAS Name: 2-[[2-(3-methyl-1-benzimidazol-3-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester iodide IUPAC Name: methyl 2-[[2-(3-methylbenzimidazol-3-ium-1-yl)acetyl]amino]benzoate iodide Traditional Name: 2-[[2-(3-methylbenzimidazol-3-ium-1-yl)acetyl]amino]benzoic acid methyl ester iodide Formula: C18H18IN3O3 MolecularWeight: 451.25829

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3C(=O)OC.[I-]

InChI

InChI=1S/C18H17N3O3.HI/c1-20-12-21(16-10-6-5-9-15(16)20)11-17(22)19-14-8-4-3-7-13(14)18(23)24-2;/h3-10,12H,11H2,1-2H3;1H