2-[2-[(E)-heptadec-1-enyl]-1-octadecyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol

Systemtic Name: 2-[2-[(E)-heptadec-1-enyl]-1-octadecyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol Openeye Name: 2-[2-[(E)-heptadec-1-enyl]-1-octadecyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol CAS Name: 2-[2-[(E)-heptadec-1-enyl]-1-octadecyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol IUPAC Name: 2-[2-[(E)-heptadec-1-enyl]-1-octadecyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol Traditional Name: 2-[2-[(E)-heptadec-1-enyl]-1-stearyl-2-imidazolin-1-ium-1-yl]ethanol Formula: C40H79N2O+ MolecularWeight: 604.06806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCN=C1C=CCCCCCCCCCCCCCCC)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCN=C1/C=C/CCCCCCCCCCCCCCC)CCO

InChI

InChI=1S/C40H79N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42(38-39-43)37-35-41-40(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,34,43H,3-31,33,35-39H2,1-2H3/q+1/b34-32+