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

Systemtic Name: 6-(1-decylpyridin-1-ium-4-yl)carbonyloxyhexyl 1-decylpyridin-1-ium-4-carboxylate diiodide Openeye Name: 6-(1-decylpyridin-1-ium-4-carbonyl)oxyhexyl 1-decylpyridin-1-ium-4-carboxylate diiodide CAS Name: 1-decyl-4-pyridin-1-iumcarboxylic acid 6-[(1-decyl-4-pyridin-1-iumyl)-oxomethoxy]hexyl ester diiodide IUPAC Name: 6-(1-decylpyridin-1-ium-4-carbonyl)oxyhexyl 1-decylpyridin-1-ium-4-carboxylate diiodide Traditional Name: 1-decylpyridin-1-ium-4-carboxylic acid 6-(1-decylpyridin-1-ium-4-carbonyl)oxyhexyl ester diiodide Formula: C38H62I2N2O4 MolecularWeight: 864.71882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H62N2O4.2HI/c1-3-5-7-9-11-13-15-19-27-39-29-23-35(24-30-39)37(41)43-33-21-17-18-22-34-44-38(42)36-25-31-40(32-26-36)28-20-16-14-12-10-8-6-4-2;;/h23-26,29-32H,3-22,27-28,33-34H2,1-2H3;2*1H/q+2;;/p-2