(E)-N-[2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)icosan-2-yl]octadec-9-enamide; methyl sulfate

Systemtic Name: (E)-N-[2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)icosan-2-yl]octadec-9-enamide; methyl sulfate Openeye Name: (E)-N-[1-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-methyl-nonadecyl]octadec-9-enamide; methyl sulfate CAS Name: (E)-N-[2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)eicosan-2-yl]-9-octadecenamide; methyl sulfate IUPAC Name: (E)-N-[2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)icosan-2-yl]octadec-9-enamide; methyl sulfate Traditional Name: (E)-N-[1-(2-imidazolin-1-ium-1-yl)-1-methyl-nonadecyl]octadec-9-enamide; methyl sulfate Formula: C42H83N3O5S MolecularWeight: 742.19052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)(NC(=O)CCCCCCCC=CCCCCCCCC)[N+]1=CNCC1.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)(NC(=O)CCCCCCC/C=C/CCCCCCCC)[N+]1=CNCC1.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H79N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(3,44-38-37-42-39-44)43-40(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h19,21,39H,4-18,20,22-38H2,1-3H3,(H,43,45);1H3,(H,2,3,4)/b21-19+;