3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-hexadecyl-henicosan-1-ol; ethyl sulfate

Systemtic Name: 3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-hexadecyl-henicosan-1-ol; ethyl sulfate Openeye Name: 3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-hexadecyl-henicosan-1-ol; ethyl sulfate CAS Name: 3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-hexadecyl-1-heneicosanol; ethyl sulfate IUPAC Name: 3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-hexadecylhenicosan-1-ol; ethyl sulfate Traditional Name: 4-cetyl-3-(2-imidazolin-1-ium-1-yl)heneicosan-1-ol; ethyl sulfate Formula: C42H86N2O5S MolecularWeight: 731.20764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(CCO)[N+]1=CNCC1.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(CCO)[N+]1=CNCC1.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C40H80N2O.C2H6O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(40(34-37-43)42-36-35-41-38-42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-6-7(3,4)5/h38-40,43H,3-37H2,1-2H3;2H2,1H3,(H,3,4,5)