2-(1-dodecyl-2-ethyl-4,5-dihydro-1H-imidazole-1,3-diium-3-yl)ethanol; 2-methylbenzenesulfonate

Systemtic Name: 2-(1-dodecyl-2-ethyl-4,5-dihydro-1H-imidazole-1,3-diium-3-yl)ethanol; 2-methylbenzenesulfonate Openeye Name: 2-(1-dodecyl-2-ethyl-4,5-dihydro-1H-imidazole-1,3-diium-3-yl)ethanol; 2-methylbenzenesulfonate CAS Name: 2-(1-dodecyl-2-ethyl-4,5-dihydro-1H-imidazole-1,3-diium-3-yl)ethanol; 2-methylbenzenesulfonate IUPAC Name: 2-(1-dodecyl-2-ethyl-4,5-dihydro-1H-imidazole-1,3-diium-3-yl)ethanol; 2-methylbenzenesulfonate Traditional Name: 2-(2-ethyl-3-lauryl-2-imidazoline-1,3-diium-1-yl)ethanol; 2-methylbesylate Formula: C26H47N2O4S+ MolecularWeight: 483.72738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH+]1CC[N+](=C1CC)CCO.CC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[NH+]1CC[N+](=C1CC)CCO.CC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C19H39N2O.C7H8O3S/c1-3-5-6-7-8-9-10-11-12-13-14-20-15-16-21(17-18-22)19(20)4-2;1-6-4-2-3-5-7(6)11(8,9)10/h22H,3-18H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;