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

Systemtic Name: 6-(1-tetradecylpyridin-1-ium-4-yl)carbonyloxyhexyl 1-tetradecylpyridin-1-ium-4-carboxylate diiodide Openeye Name: 6-(1-tetradecylpyridin-1-ium-4-carbonyl)oxyhexyl 1-tetradecylpyridin-1-ium-4-carboxylate diiodide CAS Name: 1-tetradecyl-4-pyridin-1-iumcarboxylic acid 6-[oxo-(1-tetradecyl-4-pyridin-1-iumyl)methoxy]hexyl ester diiodide IUPAC Name: 6-(1-tetradecylpyridin-1-ium-4-carbonyl)oxyhexyl 1-tetradecylpyridin-1-ium-4-carboxylate diiodide Traditional Name: 1-myristylpyridin-1-ium-4-carboxylic acid 6-(1-myristylpyridin-1-ium-4-carbonyl)oxyhexyl ester diiodide Formula: C46H78I2N2O4 MolecularWeight: 976.93146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H78N2O4.2HI/c1-3-5-7-9-11-13-15-17-19-21-23-27-35-47-37-31-43(32-38-47)45(49)51-41-29-25-26-30-42-52-46(50)44-33-39-48(40-34-44)36-28-24-22-20-18-16-14-12-10-8-6-4-2;;/h31-34,37-40H,3-30,35-36,41-42H2,1-2H3;2*1H/q+2;;/p-2