2-[3-[(E)-heptadec-2-enyl]-1-octadecyl-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol chloride

Systemtic Name: 2-[3-[(E)-heptadec-2-enyl]-1-octadecyl-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol chloride Openeye Name: 2-[3-[(E)-heptadec-2-enyl]-1-octadecyl-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol chloride CAS Name: 2-[3-[(E)-heptadec-2-enyl]-1-octadecyl-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol chloride IUPAC Name: 2-[3-[(E)-heptadec-2-enyl]-1-octadecyl-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol chloride Traditional Name: 2-[3-[(E)-heptadec-2-enyl]-1-stearyl-2-imidazoline-1,3-diium-1-yl]ethanol chloride Formula: C40H80ClN2O+ MolecularWeight: 640.529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CC[N+](=C1)CC=CCCCCCCCCCCCCCC)CCO.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CC[N+](=C1)C/C=C/CCCCCCCCCCCCCC)CCO.[Cl-]

InChI

InChI=1S/C40H80N2O.ClH/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;/h30,32,40,43H,3-29,31,33-39H2,1-2H3;1H/q+2;/p-1/b32-30+;