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

Systemtic Name: 3-[6-[(4-heptadecyloxolan-2-yl)methoxy]hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[6-[(4-heptadecyltetrahydrofuran-2-yl)methoxy]hexyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[6-[(4-heptadecyl-2-oxolanyl)methoxy]hexyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[6-[(4-heptadecyloxolan-2-yl)methoxy]hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[6-[(4-heptadecyltetrahydrofuran-2-yl)methoxy]hexyl]thiazol-3-ium tosylate Formula: C38H65NO5S2 MolecularWeight: 680.0564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1CC(OC1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1CC(OC1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C31H58NO2S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-26-31(34-27-30)28-33-24-20-17-16-19-22-32-23-25-35-29-32;1-6-2-4-7(5-3-6)11(8,9)10/h23,25,29-31H,2-22,24,26-28H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1