4-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-methyl-nonadecan-1-ol; methyl sulfate

Systemtic Name: 4-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-methyl-nonadecan-1-ol; methyl sulfate Openeye Name: 4-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-methyl-nonadecan-1-ol; methyl sulfate CAS Name: 4-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-methyl-1-nonadecanol; methyl sulfate IUPAC Name: 4-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-methylnonadecan-1-ol; methyl sulfate Traditional Name: 4-(2-imidazolin-1-ium-1-yl)-3-methyl-nonadecan-1-ol; methyl sulfate Formula: C24H50N2O5S MolecularWeight: 478.7292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)CCO)[N+]1=CNCC1.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)CCO)[N+]1=CNCC1.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H46N2O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(22(2)17-20-26)25-19-18-24-21-25;1-5-6(2,3)4/h21-23,26H,3-20H2,1-2H3;1H3,(H,2,3,4)