1-ethyl-4-hexadecyl-3-methyl-2-pentadecyl-4,5-dihydroimidazol-1-ium; methyl sulfate

Systemtic Name: 1-ethyl-4-hexadecyl-3-methyl-2-pentadecyl-4,5-dihydroimidazol-1-ium; methyl sulfate Openeye Name: 1-ethyl-4-hexadecyl-3-methyl-2-pentadecyl-4,5-dihydroimidazol-1-ium; methyl sulfate CAS Name: 1-ethyl-4-hexadecyl-3-methyl-2-pentadecyl-4,5-dihydroimidazol-1-ium; methyl sulfate IUPAC Name: 1-ethyl-4-hexadecyl-3-methyl-2-pentadecyl-4,5-dihydroimidazol-1-ium; methyl sulfate Traditional Name: 4-cetyl-1-ethyl-3-methyl-2-pentadecyl-2-imidazolin-1-ium; methyl sulfate Formula: C38H78N2O4S MolecularWeight: 659.10192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1C[N+](=C(N1C)CCCCCCCCCCCCCCC)CC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1C[N+](=C(N1C)CCCCCCCCCCCCCCC)CC.COS(=O)(=O)[O-]

InChI

InChI=1S/C37H75N2.CH4O4S/c1-5-8-10-12-14-16-18-20-22-23-25-27-29-31-33-36-35-39(7-3)37(38(36)4)34-32-30-28-26-24-21-19-17-15-13-11-9-6-2;1-5-6(2,3)4/h36H,5-35H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1