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

Systemtic Name: 1-[6-methoxy-1-(2-nonadecyl-1,3-dioxolan-4-yl)hexyl]pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-[6-methoxy-1-(2-nonadecyl-1,3-dioxolan-4-yl)hexyl]pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-[6-methoxy-1-(2-nonadecyl-1,3-dioxolan-4-yl)hexyl]pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[6-methoxy-1-(2-nonadecyl-1,3-dioxolan-4-yl)hexyl]pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[6-methoxy-1-(2-nonadecyl-1,3-dioxolan-4-yl)hexyl]pyridin-1-ium tosylate Formula: C41H69NO6S MolecularWeight: 704.05466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC1OCC(O1)C(CCCCCOC)[N+]2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC1OCC(O1)C(CCCCCOC)[N+]2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

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