1,2-di(heptadecyl)-3-methyl-4,5-dihydroimidazol-3-ium; methyl sulfate

Systemtic Name: 1,2-di(heptadecyl)-3-methyl-4,5-dihydroimidazol-3-ium; methyl sulfate Openeye Name: 1,2-di(heptadecyl)-3-methyl-4,5-dihydroimidazol-3-ium; methyl sulfate CAS Name: 1,2-di(heptadecyl)-3-methyl-4,5-dihydroimidazol-3-ium; methyl sulfate IUPAC Name: 1,2-di(heptadecyl)-3-methyl-4,5-dihydroimidazol-3-ium; methyl sulfate Traditional Name: 1,2-di(heptadecyl)-3-methyl-2-imidazolin-3-ium; methyl sulfate Formula: C39H80N2O4S MolecularWeight: 673.1285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCCCCCCCCCCCCCCCC)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCCCCCCCCCCCCCCCC)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C38H77N2.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-39(3)36-37-40(38)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-37H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1