N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]octadecanamide; methyl sulfate

Systemtic Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]octadecanamide; methyl sulfate Openeye Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]octadecanamide; methyl sulfate CAS Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]octadecanamide; methyl sulfate IUPAC Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]octadecanamide; methyl sulfate Traditional Name: N-[2-(2-heptadecyl-1-methyl-2-imidazoline-1,3-diium-1-yl)ethyl]stearamide; methyl sulfate Formula: C42H86N3O5S+ MolecularWeight: 745.21434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[NH+]CC[N+]1(C)CCNC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[NH+]CC[N+]1(C)CCNC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H81N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-39H2,1-3H3;1H3,(H,2,3,4)/p+1