N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-methyl-icosan-2-yl]octadecanamide; methyl sulfate

Systemtic Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-methyl-icosan-2-yl]octadecanamide; methyl sulfate Openeye Name: N-[18-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-1,1-dimethyl-nonadecyl]octadecanamide; methyl sulfate CAS Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-methyleicosan-2-yl]octadecanamide; methyl sulfate IUPAC Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-methylicosan-2-yl]octadecanamide; methyl sulfate Traditional Name: N-[18-(2-imidazolin-1-ium-1-yl)-1,1-dimethyl-nonadecyl]stearamide; methyl sulfate Formula: C43H87N3O5S MolecularWeight: 758.23298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C)(C)CCCCCCCCCCCCCCCCC(C)[N+]1=CNCC1.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(C)(C)CCCCCCCCCCCCCCCCC(C)[N+]1=CNCC1.COS(=O)(=O)[O-]

InChI

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