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

Systemtic Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium; ethyl sulfate Openeye Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium; ethyl sulfate CAS Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium; ethyl sulfate IUPAC Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium; ethyl sulfate Traditional Name: 4-cetyl-1,3-diethyl-2-pentadecyl-2-imidazolin-1-ium; ethyl sulfate Formula: C40H82N2O4S MolecularWeight: 687.15508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1C[N+](=C(N1CC)CCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1C[N+](=C(N1CC)CCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C38H77N2.C2H6O4S/c1-5-9-11-13-15-17-19-21-23-24-26-28-30-32-34-37-36-39(7-3)38(40(37)8-4)35-33-31-29-27-25-22-20-18-16-14-12-10-6-2;1-2-6-7(3,4)5/h37H,5-36H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1