ethyl sulfate; (E)-N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)icosan-2-yl]octadec-9-enamide

Systemtic Name: ethyl sulfate; (E)-N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)icosan-2-yl]octadec-9-enamide Openeye Name: ethyl sulfate; (E)-N-[1-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)-1-methyl-nonadecyl]octadec-9-enamide CAS Name: ethyl sulfate; (E)-N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)eicosan-2-yl]-9-octadecenamide IUPAC Name: ethyl sulfate; (E)-N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)icosan-2-yl]octadec-9-enamide Traditional Name: ethyl sulfate; (E)-N-[1-(2-heptadecyl-1-methyl-2-imidazoline-1,3-diium-1-yl)-1-methyl-nonadecyl]octadec-9-enamide Formula: C61H122N3O5S+ MolecularWeight: 1009.70348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)(NC(=O)CCCCCCCC=CCCCCCCCC)[N+]1(CC[NH+]=C1CCCCCCCCCCCCCCCCC)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)(NC(=O)CCCCCCC/C=C/CCCCCCCC)[N+]1(CC[NH+]=C1CCCCCCCCCCCCCCCCC)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C59H115N3O.C2H6O4S/c1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-59(4,61-58(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3)62(5)56-55-60-57(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2;1-2-6-7(3,4)5/h29,32H,6-28,30-31,33-56H2,1-5H3;2H2,1H3,(H,3,4,5)/p+1/b32-29+;