1,3-diethyl-2-heptadecyl-4-octadecyl-4,5-dihydroimidazol-1-ium; ethyl sulfate

Systemtic Name: 1,3-diethyl-2-heptadecyl-4-octadecyl-4,5-dihydroimidazol-1-ium; ethyl sulfate Openeye Name: 1,3-diethyl-2-heptadecyl-4-octadecyl-4,5-dihydroimidazol-1-ium; ethyl sulfate CAS Name: 1,3-diethyl-2-heptadecyl-4-octadecyl-4,5-dihydroimidazol-1-ium; ethyl sulfate IUPAC Name: 1,3-diethyl-2-heptadecyl-4-octadecyl-4,5-dihydroimidazol-1-ium; ethyl sulfate Traditional Name: 1,3-diethyl-2-heptadecyl-4-stearyl-2-imidazolin-1-ium; ethyl sulfate Formula: C44H90N2O4S MolecularWeight: 743.2614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1C[N+](=C(N1CC)CCCCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1C[N+](=C(N1CC)CCCCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C42H85N2.C2H6O4S/c1-5-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-41-40-43(7-3)42(44(41)8-4)39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-6-2;1-2-6-7(3,4)5/h41H,5-40H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1