(E)-N-[2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadec-9-enamide; ethyl sulfate

Systemtic Name: (E)-N-[2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadec-9-enamide; ethyl sulfate Openeye Name: (E)-N-[2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadec-9-enamide; ethyl sulfate CAS Name: (E)-N-[2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]-9-octadecenamide; ethyl sulfate IUPAC Name: (E)-N-[2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadec-9-enamide; ethyl sulfate Traditional Name: (E)-N-[2-[3-ethyl-2-[(E)-heptadec-8-enyl]-2-imidazolin-1-ium-1-yl]ethyl]octadec-9-enamide; ethyl sulfate Formula: C44H85N3O5S MolecularWeight: 768.2278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=[N+](CCN1CC)CCNC(=O)CCCCCCCC=CCCCCCCCC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1=[N+](CCN1CC)CCNC(=O)CCCCCCC/C=C/CCCCCCCC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C42H79N3O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-38-45-40-39-44(6-3)42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h19-22H,4-18,23-40H2,1-3H3;2H2,1H3,(H,3,4,5)/b21-19+,22-20+;