ethyl 1,3-diethyl-2-[(E)-2-phenylazanylethenyl]benzimidazol-1-ium-5-carboxylate iodide

Systemtic Name: ethyl 1,3-diethyl-2-[(E)-2-phenylazanylethenyl]benzimidazol-1-ium-5-carboxylate iodide Openeye Name: ethyl 2-[(E)-2-anilinovinyl]-1,3-diethyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 2-[(E)-2-anilinoethenyl]-1,3-diethyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 2-[(E)-2-anilinoethenyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 2-[(E)-2-anilinovinyl]-1,3-diethyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester iodide Formula: C22H26IN3O2 MolecularWeight: 491.36521

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)OCC)[N+](=C1C=CNC3=CC=CC=C3)CC.[I-]

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)OCC)[N+](=C1/C=C/NC3=CC=CC=C3)CC.[I-]

InChI

InChI=1S/C22H25N3O2.HI/c1-4-24-19-13-12-17(22(26)27-6-3)16-20(19)25(5-2)21(24)14-15-23-18-10-8-7-9-11-18;/h7-16H,4-6H2,1-3H3;1H