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

Systemtic Name: 4-methylbenzenesulfonate; 2-(1-methyl-2-undecyl-4,5-dihydro-1H-imidazole-1,3-diium-3-yl)ethanol Openeye Name: 4-methylbenzenesulfonate; 2-(1-methyl-2-undecyl-4,5-dihydro-1H-imidazole-1,3-diium-3-yl)ethanol CAS Name: 4-methylbenzenesulfonate; 2-(1-methyl-2-undecyl-4,5-dihydro-1H-imidazole-1,3-diium-3-yl)ethanol IUPAC Name: 4-methylbenzenesulfonate; 2-(1-methyl-2-undecyl-4,5-dihydro-1H-imidazole-1,3-diium-3-yl)ethanol Traditional Name: 2-(3-methyl-2-undecyl-2-imidazoline-1,3-diium-1-yl)ethanol tosylate Formula: C24H43N2O4S+ MolecularWeight: 455.67422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](CC[NH+]1C)CCO.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](CC[NH+]1C)CCO.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H35N2O.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-17-18(2)13-14-19(17)15-16-20;1-6-2-4-7(5-3-6)11(8,9)10/h20H,3-16H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;