2,3-didodecyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate

Systemtic Name: 2,3-didodecyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Openeye Name: 2,3-didodecyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate CAS Name: 2,3-didodecyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate IUPAC Name: 2,3-didodecyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Traditional Name: 1,2-dilauryl-2-imidazolin-1-ium; methyl sulfate Formula: C28H58N2O4S MolecularWeight: 518.83612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=[N+](CCN1)CCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=[N+](CCN1)CCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C27H54N2.CH4O4S/c1-3-5-7-9-11-13-15-17-19-21-23-27-28-24-26-29(27)25-22-20-18-16-14-12-10-8-6-4-2;1-5-6(2,3)4/h3-26H2,1-2H3;1H3,(H,2,3,4)