ethyl 2-[3-[5-ethoxycarbonyl-1-ethyl-3-(2-methoxyethyl)benzimidazol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3-(2-methoxyethyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[3-[5-ethoxycarbonyl-1-ethyl-3-(2-methoxyethyl)benzimidazol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3-(2-methoxyethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 2-[3-[5-ethoxycarbonyl-1-ethyl-3-(2-methoxyethyl)benzimidazol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3-(2-methoxyethyl)benzimidazole-5-carboxylate CAS Name: 2-[3-[5-ethoxycarbonyl-1-ethyl-3-(2-methoxyethyl)-2-benzimidazol-1-iumyl]prop-2-enylidene]-1-ethyl-3-(2-methoxyethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[5-ethoxycarbonyl-1-ethyl-3-(2-methoxyethyl)benzimidazol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3-(2-methoxyethyl)benzimidazole-5-carboxylate Traditional Name: 2-[3-[5-carbethoxy-1-ethyl-3-(2-methoxyethyl)benzimidazol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C33H43N4O6+ MolecularWeight: 591.71772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=CC=CC3=[N+](C4=C(N3CCOC)C=C(C=C4)C(=O)OCC)CC)CCOC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=CC=CC3=[N+](C4=C(N3CCOC)C=C(C=C4)C(=O)OCC)CC)CCOC

InChI

InChI=1S/C33H43N4O6/c1-7-34-26-16-14-24(32(38)42-9-3)22-28(26)36(18-20-40-5)30(34)12-11-13-31-35(8-2)27-17-15-25(33(39)43-10-4)23-29(27)37(31)19-21-41-6/h11-17,22-23H,7-10,18-21H2,1-6H3/q+1