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

Systemtic Name: 1-methyl-2,3-di(pentadecyl)-4,5-dihydroimidazol-1-ium; methyl sulfate Openeye Name: 1-methyl-2,3-di(pentadecyl)-4,5-dihydroimidazol-1-ium; methyl sulfate CAS Name: 1-methyl-2,3-di(pentadecyl)-4,5-dihydroimidazol-1-ium; methyl sulfate IUPAC Name: 1-methyl-2,3-di(pentadecyl)-4,5-dihydroimidazol-1-ium; methyl sulfate Traditional Name: 1-methyl-2,3-di(pentadecyl)-2-imidazolin-1-ium; methyl sulfate Formula: C35H72N2O4S MolecularWeight: 617.02218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=[N+](CCN1CCCCCCCCCCCCCCC)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=[N+](CCN1CCCCCCCCCCCCCCC)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C34H69N2.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34-35(3)32-33-36(34)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-33H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1