N-[1-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]-11-methyl-heptadecanamide; methyl sulfate

Systemtic Name: N-[1-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]-11-methyl-heptadecanamide; methyl sulfate Openeye Name: N-[1-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]-11-methyl-heptadecanamide; methyl sulfate CAS Name: N-[1-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]-11-methylheptadecanamide; methyl sulfate IUPAC Name: N-[1-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]-11-methylheptadecanamide; methyl sulfate Traditional Name: N-[1-(2-heptadecyl-1-methyl-2-imidazolin-1-ium-1-yl)ethyl]-11-methyl-heptadecanamide; methyl sulfate Formula: C42H85N3O5S MolecularWeight: 744.2064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)C(C)NC(=O)CCCCCCCCCC(C)CCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)C(C)NC(=O)CCCCCCCCCC(C)CCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H81N3O.CH4O4S/c1-6-8-10-12-13-14-15-16-17-18-19-20-23-26-30-34-40-42-36-37-44(40,5)39(4)43-41(45)35-31-27-24-21-22-25-29-33-38(3)32-28-11-9-7-2;1-5-6(2,3)4/h38-39H,6-37H2,1-5H3;1H3,(H,2,3,4)