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

Systemtic Name: 4-methylbenzenesulfonate; 1-[6-[(4-tetradecyloxolan-2-yl)methoxy]hexyl]quinolin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-[6-[(4-tetradecyltetrahydrofuran-2-yl)methoxy]hexyl]quinolin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-[6-[(4-tetradecyl-2-oxolanyl)methoxy]hexyl]quinolin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-[6-[(4-tetradecyloxolan-2-yl)methoxy]hexyl]quinolin-1-ium Traditional Name: 1-[6-[(4-myristyltetrahydrofuran-2-yl)methoxy]hexyl]quinolin-1-ium tosylate Formula: C41H63NO5S MolecularWeight: 682.00762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1CC(OC1)COCCCCCC[N+]2=CC=CC3=CC=CC=C32.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1CC(OC1)COCCCCCC[N+]2=CC=CC3=CC=CC=C32.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C34H56NO2.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-31-28-33(37-29-31)30-36-27-19-14-13-18-25-35-26-20-23-32-22-16-17-24-34(32)35;1-6-2-4-7(5-3-6)11(8,9)10/h16-17,20,22-24,26,31,33H,2-15,18-19,21,25,27-30H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1