6-(1-octadecylpyridin-1-ium-4-yl)carbonyloxyhexyl 1-octadecylpyridin-1-ium-4-carboxylate

Systemtic Name: 6-(1-octadecylpyridin-1-ium-4-yl)carbonyloxyhexyl 1-octadecylpyridin-1-ium-4-carboxylate Openeye Name: 6-(1-octadecylpyridin-1-ium-4-carbonyl)oxyhexyl 1-octadecylpyridin-1-ium-4-carboxylate CAS Name: 1-octadecyl-4-pyridin-1-iumcarboxylic acid 6-[(1-octadecyl-4-pyridin-1-iumyl)-oxomethoxy]hexyl ester IUPAC Name: 6-(1-octadecylpyridin-1-ium-4-carbonyl)oxyhexyl 1-octadecylpyridin-1-ium-4-carboxylate Traditional Name: 1-stearylpyridin-1-ium-4-carboxylic acid 6-(1-stearylpyridin-1-ium-4-carbonyl)oxyhexyl ester Formula: C54H94N2O4+2 MolecularWeight: 835.33516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)OCCCCCCOC(=O)C2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)OCCCCCCOC(=O)C2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C54H94N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43-55-45-39-51(40-46-55)53(57)59-49-37-33-34-38-50-60-54(58)52-41-47-56(48-42-52)44-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38,43-44,49-50H2,1-2H3/q+2