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

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-3-[6-[(4-tetradecyloxolan-2-yl)methoxy]hexyl]imidazol-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methyl-3-[6-[(4-tetradecyltetrahydrofuran-2-yl)methoxy]hexyl]imidazol-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methyl-3-[6-[(4-tetradecyl-2-oxolanyl)methoxy]hexyl]imidazol-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-3-[6-[(4-tetradecyloxolan-2-yl)methoxy]hexyl]imidazol-1-ium Traditional Name: 1-methyl-3-[6-[(4-myristyltetrahydrofuran-2-yl)methoxy]hexyl]imidazol-1-ium tosylate Formula: C36H62N2O5S MolecularWeight: 634.95288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1CC(OC1)COCCCCCCN2C=C[N+](=C2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1CC(OC1)COCCCCCCN2C=C[N+](=C2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C29H55N2O2.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-28-24-29(33-25-28)26-32-23-18-15-14-17-20-31-22-21-30(2)27-31;1-6-2-4-7(5-3-6)11(8,9)10/h21-22,27-29H,3-20,23-26H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1