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

Systemtic Name: 4-[4-methoxy-1-(4-tetradecyloxolan-2-yl)butyl]morpholin-4-ium; 4-methylbenzenesulfonate Openeye Name: 4-[4-methoxy-1-(4-tetradecyltetrahydrofuran-2-yl)butyl]morpholin-4-ium; 4-methylbenzenesulfonate CAS Name: 4-[4-methoxy-1-(4-tetradecyl-2-oxolanyl)butyl]morpholin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 4-[4-methoxy-1-(4-tetradecyloxolan-2-yl)butyl]morpholin-4-ium; 4-methylbenzenesulfonate Traditional Name: 4-[4-methoxy-1-(4-myristyltetrahydrofuran-2-yl)butyl]morpholin-4-ium tosylate Formula: C34H61NO6S MolecularWeight: 611.91624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53NO3.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-25-23-27(31-24-25)26(17-15-20-29-2)28-18-21-30-22-19-28;1-6-2-4-7(5-3-6)11(8,9)10/h25-27H,3-24H2,1-2H3;2-5H,1H3,(H,8,9,10)