1-dodecyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium; methyl sulfate

Systemtic Name: 1-dodecyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium; methyl sulfate Openeye Name: 1-dodecyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium; methyl sulfate CAS Name: 1-dodecyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium; methyl sulfate IUPAC Name: 1-dodecyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium; methyl sulfate Traditional Name: 1-lauryl-3-methyl-2-undecyl-2-imidazolin-3-ium; methyl sulfate Formula: C28H58N2O4S MolecularWeight: 518.83612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CC[N+](=C1CCCCCCCCCCC)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCN1CC[N+](=C1CCCCCCCCCCC)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C27H55N2.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-29-26-25-28(3)27(29)23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-26H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1