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

Systemtic Name: N-[2-(1-ethyl-2-heptadecan-2-yl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]-2-methyl-heptadecanamide; ethyl sulfate Openeye Name: N-[2-[1-ethyl-2-(1-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethyl]-2-methyl-heptadecanamide; ethyl sulfate CAS Name: N-[2-(1-ethyl-2-heptadecan-2-yl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]-2-methylheptadecanamide; ethyl sulfate IUPAC Name: N-[2-(1-ethyl-2-heptadecan-2-yl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]-2-methylheptadecanamide; ethyl sulfate Traditional Name: N-[2-[1-ethyl-2-(1-methylhexadecyl)-2-imidazolin-1-ium-1-yl]ethyl]-2-methyl-heptadecanamide; ethyl sulfate Formula: C44H89N3O5S MolecularWeight: 772.25956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C)C1=NCC[N+]1(CC)CCNC(=O)C(C)CCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C)C1=NCC[N+]1(CC)CCNC(=O)C(C)CCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C42H83N3O.C2H6O4S/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-39(4)41-43-35-37-45(41,8-3)38-36-44-42(46)40(5)34-32-30-28-26-24-22-20-18-16-14-12-10-7-2;1-2-6-7(3,4)5/h39-40H,6-38H2,1-5H3;2H2,1H3,(H,3,4,5)