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

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate; 4-methylbenzenesulfonate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 6-(1-quinolin-1-iumyl)hexanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate; 4-methylbenzenesulfonate Traditional Name: 6-quinolin-1-ium-1-ylhexanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester tosylate Formula: C43H65NO7S MolecularWeight: 740.0437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H58NO4.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-36-40-31-33(41-36)30-39-35(38)26-17-16-21-28-37-29-22-24-32-23-19-20-25-34(32)37;1-6-2-4-7(5-3-6)11(8,9)10/h19-20,22-25,29,33,36H,2-18,21,26-28,30-31H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1