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

Systemtic Name: N-[2-(2-heptadecyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]octadecanamide; methyl sulfate Openeye Name: N-[2-(2-heptadecyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]octadecanamide; methyl sulfate CAS Name: N-[2-(2-heptadecyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]octadecanamide; methyl sulfate IUPAC Name: N-[2-(2-heptadecyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]octadecanamide; methyl sulfate Traditional Name: N-[2-(2-heptadecyl-3-methyl-2-imidazolin-3-ium-1-yl)ethyl]stearamide; methyl sulfate Formula: C42H85N3O5S MolecularWeight: 744.2064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCNC(=O)CCCCCCCCCCCCCCCCC)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCNC(=O)CCCCCCCCCCCCCCCCC)C.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(45)42-36-37-44-39-38-43(3)41(44)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)