4-methylbenzenesulfonate; 1-(3-methyl-2-undecyl-1H-imidazol-3-ium-4-yl)ethanol

Systemtic Name: 4-methylbenzenesulfonate; 1-(3-methyl-2-undecyl-1H-imidazol-3-ium-4-yl)ethanol Openeye Name: 4-methylbenzenesulfonate; 1-(3-methyl-2-undecyl-1H-imidazol-3-ium-4-yl)ethanol CAS Name: 4-methylbenzenesulfonate; 1-(3-methyl-2-undecyl-1H-imidazol-3-ium-4-yl)ethanol IUPAC Name: 4-methylbenzenesulfonate; 1-(3-methyl-2-undecyl-1H-imidazol-3-ium-4-yl)ethanol Traditional Name: 1-(3-methyl-2-undecyl-1H-imidazol-3-ium-4-yl)ethanol tosylate Formula: C24H40N2O4S MolecularWeight: 452.6504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](C(=CN1)C(C)O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](C(=CN1)C(C)O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H32N2O.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-17-18-14-16(15(2)20)19(17)3;1-6-2-4-7(5-3-6)11(8,9)10/h14-15,20H,4-13H2,1-3H3;2-5H,1H3,(H,8,9,10)