N-(5-ethyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl)undecanamide; methyl sulfate

Systemtic Name: N-(5-ethyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl)undecanamide; methyl sulfate Openeye Name: N-(5-ethyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl)undecanamide; methyl sulfate CAS Name: N-(5-ethyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl)undecanamide; methyl sulfate IUPAC Name: N-(5-ethyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl)undecanamide; methyl sulfate Traditional Name: N-(5-ethyl-3-methyl-2-undecyl-2-imidazolin-3-ium-1-yl)undecanamide; methyl sulfate Formula: C29H59N3O5S MolecularWeight: 561.86086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](CC(N1NC(=O)CCCCCCCCCC)CC)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](CC(N1NC(=O)CCCCCCCCCC)CC)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C28H55N3O.CH4O4S/c1-5-8-10-12-14-16-18-20-22-24-28-30(4)25-26(7-3)31(28)29-27(32)23-21-19-17-15-13-11-9-6-2;1-5-6(2,3)4/h26H,5-25H2,1-4H3;1H3,(H,2,3,4)