ethyl 2-[(E)-3-(5-ethoxycarbonyl-1,3-diethyl-6-iodanyl-benzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethyl-6-iodanyl-benzimidazole-5-carboxylate iodide

Systemtic Name: ethyl 2-[(E)-3-(5-ethoxycarbonyl-1,3-diethyl-6-iodanyl-benzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethyl-6-iodanyl-benzimidazole-5-carboxylate iodide Openeye Name: ethyl 2-[(E)-3-(5-ethoxycarbonyl-1,3-diethyl-6-iodo-benzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethyl-6-iodo-benzimidazole-5-carboxylate iodide CAS Name: 2-[(E)-3-(5-ethoxycarbonyl-1,3-diethyl-6-iodo-2-benzimidazol-3-iumyl)prop-2-enylidene]-1,3-diethyl-6-iodo-5-benzimidazolecarboxylic acid ethyl ester iodide IUPAC Name: ethyl 2-[(E)-3-(5-ethoxycarbonyl-1,3-diethyl-6-iodobenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethyl-6-iodobenzimidazole-5-carboxylate iodide Traditional Name: 2-[(E)-3-(5-carbethoxy-1,3-diethyl-6-iodo-benzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethyl-6-iodo-benzimidazole-5-carboxylic acid ethyl ester iodide Formula: C31H37I3N4O4 MolecularWeight: 910.36329

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C(=C2)I)C(=O)OCC)[N+](=C1C=CC=C3N(C4=C(N3CC)C=C(C(=C4)C(=O)OCC)I)CC)CC.[I-]

Isomeric SMILES

CCN1C2=C(C=C(C(=C2)I)C(=O)OCC)[N+](=C1/C=C/C=C3N(C4=C(N3CC)C=C(C(=C4)C(=O)OCC)I)CC)CC.[I-]

InChI

InChI=1S/C31H37I2N4O4.HI/c1-7-34-24-16-20(30(38)40-11-5)22(32)18-26(24)36(9-3)28(34)14-13-15-29-35(8-2)25-17-21(31(39)41-12-6)23(33)19-27(25)37(29)10-4;/h13-19H,7-12H2,1-6H3;1H/q+1;/p-1