3-[6-methoxy-1-(4-pentadecyloxolan-2-yl)hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[6-methoxy-1-(4-pentadecyloxolan-2-yl)hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[6-methoxy-1-(4-pentadecyltetrahydrofuran-2-yl)hexyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[6-methoxy-1-(4-pentadecyl-2-oxolanyl)hexyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[6-methoxy-1-(4-pentadecyloxolan-2-yl)hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[6-methoxy-1-(4-pentadecyltetrahydrofuran-2-yl)hexyl]thiazol-3-ium tosylate Formula: C36H61NO5S2 MolecularWeight: 652.00324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1CC(OC1)C(CCCCCOC)[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1CC(OC1)C(CCCCCOC)[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C29H54NO2S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-27-24-29(32-25-27)28(30-21-23-33-26-30)20-17-15-18-22-31-2;1-6-2-4-7(5-3-6)11(8,9)10/h21,23,26-29H,3-20,22,24-25H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1