(E)-3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-dodecyl-icos-11-en-2-ol chloride

Systemtic Name: (E)-3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-dodecyl-icos-11-en-2-ol chloride Openeye Name: (E)-3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-dodecyl-icos-11-en-2-ol chloride CAS Name: (E)-3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-dodecyl-11-eicosen-2-ol chloride IUPAC Name: (E)-3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-dodecylicos-11-en-2-ol chloride Traditional Name: (E)-3-(2-imidazolin-1-ium-1-yl)-3-lauryl-eicos-11-en-2-ol chloride Formula: C35H69ClN2O MolecularWeight: 569.38816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCC=CCCCCCCCC)(C(C)O)[N+]1=CNCC1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCC/C=C/CCCCCCCC)(C(C)O)[N+]1=CNCC1.[Cl-]

InChI

InChI=1S/C35H68N2O.ClH/c1-4-6-8-10-12-14-16-17-18-19-20-22-24-26-28-30-35(34(3)38,37-32-31-36-33-37)29-27-25-23-21-15-13-11-9-7-5-2;/h17-18,33-34,38H,4-16,19-32H2,1-3H3;1H/b18-17+;