(2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(4-methylmorpholin-4-ium-4-yl)hexanoate; 4-methylbenzenesulfonate

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(4-methylmorpholin-4-ium-4-yl)hexanoate; 4-methylbenzenesulfonate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(4-methylmorpholin-4-ium-4-yl)hexanoate; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 6-(4-methyl-4-morpholin-4-iumyl)hexanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(4-methylmorpholin-4-ium-4-yl)hexanoate; 4-methylbenzenesulfonate Traditional Name: 6-(4-methylmorpholin-4-ium-4-yl)hexanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester tosylate Formula: C39H69NO8S MolecularWeight: 712.03206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H62NO5.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-37-29-30(38-32)28-36-31(34)21-18-17-20-23-33(2)24-26-35-27-25-33;1-6-2-4-7(5-3-6)11(8,9)10/h30,32H,3-29H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1