4-methylbenzenesulfonate; 4-methyl-4-[4-[(4-tetradecyloxolan-2-yl)methoxy]butyl]morpholin-4-ium

Systemtic Name: 4-methylbenzenesulfonate; 4-methyl-4-[4-[(4-tetradecyloxolan-2-yl)methoxy]butyl]morpholin-4-ium Openeye Name: 4-methylbenzenesulfonate; 4-methyl-4-[4-[(4-tetradecyltetrahydrofuran-2-yl)methoxy]butyl]morpholin-4-ium CAS Name: 4-methylbenzenesulfonate; 4-methyl-4-[4-[(4-tetradecyl-2-oxolanyl)methoxy]butyl]morpholin-4-ium IUPAC Name: 4-methylbenzenesulfonate; 4-methyl-4-[4-[(4-tetradecyloxolan-2-yl)methoxy]butyl]morpholin-4-ium Traditional Name: 4-methyl-4-[4-[(4-myristyltetrahydrofuran-2-yl)methoxy]butyl]morpholin-4-ium tosylate Formula: C35H63NO6S MolecularWeight: 625.94282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1CC(OC1)COCCCC[N+]2(CCOCC2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1CC(OC1)COCCCC[N+]2(CCOCC2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C28H56NO3.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-27-24-28(32-25-27)26-31-21-16-15-18-29(2)19-22-30-23-20-29;1-6-2-4-7(5-3-6)11(8,9)10/h27-28H,3-26H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1