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

Systemtic Name: methyl 2-[2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoylamino]benzoate iodide Openeye Name: methyl 2-[[2-(3-benzylbenzimidazol-3-ium-1-yl)acetyl]amino]benzoate iodide CAS Name: 2-[[1-oxo-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]ethyl]amino]benzoic acid methyl ester iodide IUPAC Name: methyl 2-[[2-(3-benzylbenzimidazol-3-ium-1-yl)acetyl]amino]benzoate iodide Traditional Name: 2-[[2-(3-benzylbenzimidazol-3-ium-1-yl)acetyl]amino]benzoic acid methyl ester iodide Formula: C24H22IN3O3 MolecularWeight: 527.35425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[I-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C24H21N3O3.HI/c1-30-24(29)19-11-5-6-12-20(19)25-23(28)16-27-17-26(15-18-9-3-2-4-10-18)21-13-7-8-14-22(21)27;/h2-14,17H,15-16H2,1H3;1H