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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](CCN1)C(C)(C)NC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](CCN1)C(C)(C)NC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H81N3O.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-42-37-38-44(39)41(3,4)43-40(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h5-38H2,1-4H3,(H,43,45);1H3,(H,2,3,4)