3-[7-methoxy-1-(4-pentadecyloxolan-2-yl)heptyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[7-methoxy-1-(4-pentadecyloxolan-2-yl)heptyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[7-methoxy-1-(4-pentadecyltetrahydrofuran-2-yl)heptyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[7-methoxy-1-(4-pentadecyl-2-oxolanyl)heptyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[7-methoxy-1-(4-pentadecyloxolan-2-yl)heptyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[7-methoxy-1-(4-pentadecyltetrahydrofuran-2-yl)heptyl]thiazol-3-ium tosylate Formula: C37H63NO5S2 MolecularWeight: 666.02982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H56NO2S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-25-30(33-26-28)29(31-22-24-34-27-31)21-18-15-16-19-23-32-2;1-6-2-4-7(5-3-6)11(8,9)10/h22,24,27-30H,3-21,23,25-26H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1