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

Systemtic Name: methyl sulfate; N-[2-(2-octadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)propan-2-yl]octadecanamide Openeye Name: N-[1-methyl-1-(2-octadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethyl]octadecanamide; methyl sulfate CAS Name: methyl sulfate; N-[2-(2-octadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)propan-2-yl]octadecanamide IUPAC Name: methyl sulfate; N-[2-(2-octadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)propan-2-yl]octadecanamide Traditional Name: N-[1-methyl-1-(2-stearyl-2-imidazolin-1-ium-1-yl)ethyl]stearamide; methyl sulfate Formula: C43H87N3O5S MolecularWeight: 758.23298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=[N+](CCN1)C(C)(C)NC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=[N+](CCN1)C(C)(C)NC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C42H83N3O.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-40-43-38-39-45(40)42(3,4)44-41(46)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h5-39H2,1-4H3,(H,44,46);1H3,(H,2,3,4)