6-(1-octylpyridin-1-ium-4-yl)carbonyloxyhexyl 1-octylpyridin-1-ium-4-carboxylate diiodide

Systemtic Name: 6-(1-octylpyridin-1-ium-4-yl)carbonyloxyhexyl 1-octylpyridin-1-ium-4-carboxylate diiodide Openeye Name: 6-(1-octylpyridin-1-ium-4-carbonyl)oxyhexyl 1-octylpyridin-1-ium-4-carboxylate diiodide CAS Name: 1-octyl-4-pyridin-1-iumcarboxylic acid 6-[(1-octyl-4-pyridin-1-iumyl)-oxomethoxy]hexyl ester diiodide IUPAC Name: 6-(1-octylpyridin-1-ium-4-carbonyl)oxyhexyl 1-octylpyridin-1-ium-4-carboxylate diiodide Traditional Name: 1-octylpyridin-1-ium-4-carboxylic acid 6-(1-octylpyridin-1-ium-4-carbonyl)oxyhexyl ester diiodide Formula: C34H54I2N2O4 MolecularWeight: 808.6125

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=C(C=C1)C(=O)OCCCCCCOC(=O)C2=CC=[N+](C=C2)CCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=C(C=C1)C(=O)OCCCCCCOC(=O)C2=CC=[N+](C=C2)CCCCCCCC.[I-].[I-]

InChI

InChI=1S/C34H54N2O4.2HI/c1-3-5-7-9-11-15-23-35-25-19-31(20-26-35)33(37)39-29-17-13-14-18-30-40-34(38)32-21-27-36(28-22-32)24-16-12-10-8-6-4-2;;/h19-22,25-28H,3-18,23-24,29-30H2,1-2H3;2*1H/q+2;;/p-2