4-methylbenzenesulfonate; trimethyl-[6-[(4-tetradecyloxolan-2-yl)methoxy]hexyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[6-[(4-tetradecyloxolan-2-yl)methoxy]hexyl]azanium Openeye Name: 4-methylbenzenesulfonate; trimethyl-[6-[(4-tetradecyltetrahydrofuran-2-yl)methoxy]hexyl]ammonium CAS Name: 4-methylbenzenesulfonate; trimethyl-[6-[(4-tetradecyl-2-oxolanyl)methoxy]hexyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; trimethyl-[6-[(4-tetradecyloxolan-2-yl)methoxy]hexyl]azanium Traditional Name: trimethyl-[6-[(4-myristyltetrahydrofuran-2-yl)methoxy]hexyl]ammonium tosylate Formula: C35H65NO5S MolecularWeight: 611.9593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H58NO2.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-27-24-28(31-25-27)26-30-23-20-17-16-19-22-29(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h27-28H,5-26H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1