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

Systemtic Name: 3-[6-methoxy-1-(4-tetradecyloxolan-2-yl)hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[6-methoxy-1-(4-tetradecyltetrahydrofuran-2-yl)hexyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[6-methoxy-1-(4-tetradecyl-2-oxolanyl)hexyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[6-methoxy-1-(4-tetradecyloxolan-2-yl)hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[6-methoxy-1-(4-myristyltetrahydrofuran-2-yl)hexyl]thiazol-3-ium tosylate Formula: C35H59NO5S2 MolecularWeight: 637.97666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H52NO2S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-26-23-28(31-24-26)27(29-20-22-32-25-29)19-16-14-17-21-30-2;1-6-2-4-7(5-3-6)11(8,9)10/h20,22,25-28H,3-19,21,23-24H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1