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

Systemtic Name: 1-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-hexyl]quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-hexyl]quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxyhexyl]quinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxyhexyl]quinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-hexyl]quinolin-1-ium tosylate Formula: C43H67NO6S MolecularWeight: 726.06018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)C(CCCCCOC)[N+]2=CC=CC3=CC=CC=C32.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)C(CCCCCOC)[N+]2=CC=CC3=CC=CC=C32.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C36H60NO3.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-36-39-31-35(40-36)34(27-18-17-22-30-38-2)37-29-23-25-32-24-20-21-26-33(32)37;1-6-2-4-7(5-3-6)11(8,9)10/h20-21,23-26,29,34-36H,3-19,22,27-28,30-31H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1