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

Systemtic Name: 3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-hexadecyl-henicosan-1-ol chloride Openeye Name: 3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-hexadecyl-henicosan-1-ol chloride CAS Name: 3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-hexadecyl-1-heneicosanol chloride IUPAC Name: 3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-hexadecylhenicosan-1-ol chloride Traditional Name: 4-cetyl-3-(2-imidazolin-1-ium-1-yl)heneicosan-1-ol chloride Formula: C40H81ClN2O MolecularWeight: 641.53694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H80N2O.ClH/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;/h38-40,43H,3-37H2,1-2H3;1H