16-methyl-N-[3-[1-methyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]heptadecanamide; methyl sulfate

Systemtic Name: 16-methyl-N-[3-[1-methyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]heptadecanamide; methyl sulfate Openeye Name: 16-methyl-N-[3-[1-methyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]heptadecanamide; methyl sulfate CAS Name: 16-methyl-N-[3-[1-methyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]heptadecanamide; methyl sulfate IUPAC Name: 16-methyl-N-[3-[1-methyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]heptadecanamide; methyl sulfate Traditional Name: 16-methyl-N-[3-[1-methyl-2-(15-methylhexadecyl)-2-imidazolin-1-ium-1-yl]propyl]heptadecanamide; methyl sulfate Formula: C43H87N3O5S MolecularWeight: 758.23298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(C)CCCNC(=O)CCCCCCCCCCCCCCC(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(C)CCCNC(=O)CCCCCCCCCCCCCCC(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C42H83N3O.CH4O4S/c1-39(2)31-26-22-18-14-10-6-8-12-16-20-24-28-33-41-43-36-38-45(41,5)37-30-35-44-42(46)34-29-25-21-17-13-9-7-11-15-19-23-27-32-40(3)4;1-5-6(2,3)4/h39-40H,6-38H2,1-5H3;1H3,(H,2,3,4)