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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H56NO2.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15-21-30-28-34(37-29-30)33(25-16-14-19-27-36-2)35-26-20-23-31-22-17-18-24-32(31)35;1-6-2-4-7(5-3-6)11(8,9)10/h17-18,20,22-24,26,30,33-34H,3-16,19,21,25,27-29H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1