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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC(C)C(CCCCCCCCCCCCCCC)[N+]1=CNCC1.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC(C)C(CCCCCCCCCCCCCCC)[N+]1=CNCC1.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H81N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-41(45)43-35-34-39(3)40(44-37-36-42-38-44)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h38-40H,4-37H2,1-3H3,(H,43,45);1H3,(H,2,3,4)