1,3,4,4,5,5-hexamethyl-2-undecyl-imidazol-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,3,4,4,5,5-hexamethyl-2-undecyl-imidazol-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,3,4,4,5,5-hexamethyl-2-undecyl-imidazol-1-ium; 4-methylbenzenesulfonate CAS Name: 1,3,4,4,5,5-hexamethyl-2-undecylimidazol-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,3,4,4,5,5-hexamethyl-2-undecylimidazol-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,3,4,4,5,5-hexamethyl-2-undecyl-2-imidazolin-1-ium tosylate Formula: C27H48N2O3S MolecularWeight: 480.74662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](C(C(N1C)(C)C)(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](C(C(N1C)(C)C)(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H41N2.C7H8O3S/c1-8-9-10-11-12-13-14-15-16-17-18-21(6)19(2,3)20(4,5)22(18)7;1-6-2-4-7(5-3-6)11(8,9)10/h8-17H2,1-7H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1