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

Systemtic Name: 1-ethyl-2-heptadecyl-3-methyl-4-octadecyl-4,5-dihydroimidazol-1-ium; methyl sulfate Openeye Name: 1-ethyl-2-heptadecyl-3-methyl-4-octadecyl-4,5-dihydroimidazol-1-ium; methyl sulfate CAS Name: 1-ethyl-2-heptadecyl-3-methyl-4-octadecyl-4,5-dihydroimidazol-1-ium; methyl sulfate IUPAC Name: 1-ethyl-2-heptadecyl-3-methyl-4-octadecyl-4,5-dihydroimidazol-1-ium; methyl sulfate Traditional Name: 1-ethyl-2-heptadecyl-3-methyl-4-stearyl-2-imidazolin-1-ium; methyl sulfate Formula: C42H86N2O4S MolecularWeight: 715.20824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1C[N+](=C(N1C)CCCCCCCCCCCCCCCCC)CC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1C[N+](=C(N1C)CCCCCCCCCCCCCCCCC)CC.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H83N2.CH4O4S/c1-5-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-40-39-43(7-3)41(42(40)4)38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-6-2;1-5-6(2,3)4/h40H,5-39H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1