1-[8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-[8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-[8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-[8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium tosylate Formula: C41H69NO6S MolecularWeight: 704.05466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCCCC[N+]2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCCCC[N+]2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C34H62NO3.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-26-34-37-32-33(38-34)31-36-30-25-19-16-15-18-22-27-35-28-23-20-24-29-35;1-6-2-4-7(5-3-6)11(8,9)10/h20,23-24,28-29,33-34H,2-19,21-22,25-27,30-32H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1