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

Systemtic Name: 6-(1-hexadecylpyridin-1-ium-4-yl)carbonyloxyhexyl 1-hexadecylpyridin-1-ium-4-carboxylate Openeye Name: 6-(1-hexadecylpyridin-1-ium-4-carbonyl)oxyhexyl 1-hexadecylpyridin-1-ium-4-carboxylate CAS Name: 1-hexadecyl-4-pyridin-1-iumcarboxylic acid 6-[(1-hexadecyl-4-pyridin-1-iumyl)-oxomethoxy]hexyl ester IUPAC Name: 6-(1-hexadecylpyridin-1-ium-4-carbonyl)oxyhexyl 1-hexadecylpyridin-1-ium-4-carboxylate Traditional Name: 1-cetylpyridin-1-ium-4-carboxylic acid 6-(1-cetylpyridin-1-ium-4-carbonyl)oxyhexyl ester Formula: C50H86N2O4+2 MolecularWeight: 779.22884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H86N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-39-51-41-35-47(36-42-51)49(53)55-45-33-29-30-34-46-56-50(54)48-37-43-52(44-38-48)40-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38,41-44H,3-34,39-40,45-46H2,1-2H3/q+2