1-methyl-3-(phenylmethyl)-2-undecyl-4,5-dihydroimidazol-1-ium; methyl sulfate

Systemtic Name: 1-methyl-3-(phenylmethyl)-2-undecyl-4,5-dihydroimidazol-1-ium; methyl sulfate Openeye Name: 1-benzyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium; methyl sulfate CAS Name: 1-methyl-3-(phenylmethyl)-2-undecyl-4,5-dihydroimidazol-1-ium; methyl sulfate IUPAC Name: 1-benzyl-3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium; methyl sulfate Traditional Name: 1-benzyl-3-methyl-2-undecyl-2-imidazolin-3-ium; methyl sulfate Formula: C23H40N2O4S MolecularWeight: 440.6397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](CCN1CC2=CC=CC=C2)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](CCN1CC2=CC=CC=C2)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H37N2.CH4O4S/c1-3-4-5-6-7-8-9-10-14-17-22-23(2)18-19-24(22)20-21-15-12-11-13-16-21;1-5-6(2,3)4/h11-13,15-16H,3-10,14,17-20H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1