1-[4-methoxy-1-(4-tetradecyloxolan-2-yl)butyl]pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-[4-methoxy-1-(4-tetradecyloxolan-2-yl)butyl]pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-[4-methoxy-1-(4-tetradecyltetrahydrofuran-2-yl)butyl]pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-[4-methoxy-1-(4-tetradecyl-2-oxolanyl)butyl]pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[4-methoxy-1-(4-tetradecyloxolan-2-yl)butyl]pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[4-methoxy-1-(4-myristyltetrahydrofuran-2-yl)butyl]pyridin-1-ium tosylate Formula: C35H57NO5S MolecularWeight: 603.89578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1CC(OC1)C(CCCOC)[N+]2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1CC(OC1)C(CCCOC)[N+]2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C28H50NO2.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15-19-26-24-28(31-25-26)27(20-18-23-30-2)29-21-16-14-17-22-29;1-6-2-4-7(5-3-6)11(8,9)10/h14,16-17,21-22,26-28H,3-13,15,18-20,23-25H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1