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

Systemtic Name: N-[4-methyl-3-[1-(octadecanoylamino)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-yl]octadecanamide; methyl sulfate Openeye Name: N-[4-methyl-3-[1-(octadecanoylamino)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-yl]octadecanamide; methyl sulfate CAS Name: N-[4-methyl-3-[1-(1-oxooctadecylamino)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-yl]octadecanamide; methyl sulfate IUPAC Name: N-[4-methyl-3-[1-(octadecanoylamino)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-yl]octadecanamide; methyl sulfate Traditional Name: N-[5-methyl-1-(1-stearamidoethyl)-2-imidazolin-1-ium-2-yl]stearamide; methyl sulfate Formula: C43H86N4O6S MolecularWeight: 787.23114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=[N+](C(CN1)C)C(C)NC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=[N+](C(CN1)C)C(C)NC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C42H82N4O2.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(47)44-39(4)46-38(3)37-43-42(46)45-41(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h38-39H,5-37H2,1-4H3,(H2,43,44,45,47,48);1H3,(H,2,3,4)