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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H62NO5.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-31-37-29-30(38-31)32(35-3,23-20-18-21-26-34)33(2)24-27-36-28-25-33;1-6-2-4-7(5-3-6)11(8,9)10/h26,30-31H,4-25,27-29H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1