(E)-N-[2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)icosan-2-yl]octadec-9-enamide

Systemtic Name: (E)-N-[2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)icosan-2-yl]octadec-9-enamide Openeye Name: (E)-N-[1-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-methyl-nonadecyl]octadec-9-enamide CAS Name: (E)-N-[2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)eicosan-2-yl]-9-octadecenamide IUPAC Name: (E)-N-[2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)icosan-2-yl]octadec-9-enamide Traditional Name: (E)-N-[1-(2-imidazolin-1-ium-1-yl)-1-methyl-nonadecyl]octadec-9-enamide Formula: C41H80N3O+ MolecularWeight: 631.0934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)(NC(=O)CCCCCCCC=CCCCCCCCC)[N+]1=CNCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)(NC(=O)CCCCCCC/C=C/CCCCCCCC)[N+]1=CNCC1

InChI

InChI=1S/C41H79N3O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(3,44-38-37-42-39-44)43-40(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h19,21,39H,4-18,20,22-38H2,1-3H3,(H,43,45)/p+1/b21-19+