3-[6-methoxy-1-(4-tetradecyloxolan-2-yl)hexyl]-1H-imidazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[6-methoxy-1-(4-tetradecyloxolan-2-yl)hexyl]-1H-imidazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[6-methoxy-1-(4-tetradecyltetrahydrofuran-2-yl)hexyl]-1H-imidazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[6-methoxy-1-(4-tetradecyl-2-oxolanyl)hexyl]-1H-imidazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[6-methoxy-1-(4-tetradecyloxolan-2-yl)hexyl]-1H-imidazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[6-methoxy-1-(4-myristyltetrahydrofuran-2-yl)hexyl]-1H-imidazol-3-ium tosylate Formula: C35H60N2O5S MolecularWeight: 620.9263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1CC(OC1)C(CCCCCOC)[N+]2=CNC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1CC(OC1)C(CCCCCOC)[N+]2=CNC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C28H52N2O2.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-26-23-28(32-24-26)27(30-21-20-29-25-30)19-16-14-17-22-31-2;1-6-2-4-7(5-3-6)11(8,9)10/h20-21,25-28H,3-19,22-24H2,1-2H3;2-5H,1H3,(H,8,9,10)