3-[5-methoxy-1-(4-tetradecyloxolan-2-yl)pentyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[5-methoxy-1-(4-tetradecyloxolan-2-yl)pentyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[5-methoxy-1-(4-tetradecyltetrahydrofuran-2-yl)pentyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[5-methoxy-1-(4-tetradecyl-2-oxolanyl)pentyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[5-methoxy-1-(4-tetradecyloxolan-2-yl)pentyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[5-methoxy-1-(4-myristyltetrahydrofuran-2-yl)pentyl]thiazol-3-ium tosylate Formula: C34H57NO5S2 MolecularWeight: 623.95008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50NO2S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-25-22-27(30-23-25)26(18-15-16-20-29-2)28-19-21-31-24-28;1-6-2-4-7(5-3-6)11(8,9)10/h19,21,24-27H,3-18,20,22-23H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1