N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide; methyl sulfate

Systemtic Name: N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide; methyl sulfate Openeye Name: N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide; methyl sulfate CAS Name: N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide; methyl sulfate IUPAC Name: N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide; methyl sulfate Traditional Name: N-[3-(2-heptadecyl-1-methyl-2-imidazolin-1-ium-1-yl)propyl]stearamide; methyl sulfate Formula: C43H87N3O5S MolecularWeight: 758.23298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCCNC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCCNC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C42H83N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-41-43-38-40-45(41,3)39-34-37-44-42(46)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-40H2,1-3H3;1H3,(H,2,3,4)