4-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methyl-morpholin-4-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methyl-morpholin-4-ium; 4-methylbenzenesulfonate Openeye Name: 4-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methyl-morpholin-4-ium; 4-methylbenzenesulfonate CAS Name: 4-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methylmorpholin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 4-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methylmorpholin-4-ium; 4-methylbenzenesulfonate Traditional Name: 4-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methyl-morpholin-4-ium tosylate Formula: C39H71NO7S MolecularWeight: 698.04854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2(CCOCC2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2(CCOCC2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C32H64NO4.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-36-30-31(37-32)29-35-26-21-18-17-20-23-33(2)24-27-34-28-25-33;1-6-2-4-7(5-3-6)11(8,9)10/h31-32H,3-30H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1