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

Systemtic Name: 1-[6-methoxy-1-(2-pentadecyl-1,3-dioxolan-4-yl)hexyl]pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-[6-methoxy-1-(2-pentadecyl-1,3-dioxolan-4-yl)hexyl]pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-[6-methoxy-1-(2-pentadecyl-1,3-dioxolan-4-yl)hexyl]pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[6-methoxy-1-(2-pentadecyl-1,3-dioxolan-4-yl)hexyl]pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[6-methoxy-1-(2-pentadecyl-1,3-dioxolan-4-yl)hexyl]pyridin-1-ium tosylate Formula: C37H61NO6S MolecularWeight: 647.94834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1OCC(O1)C(CCCCCOC)[N+]2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1OCC(O1)C(CCCCCOC)[N+]2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C30H54NO3.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-23-30-33-27-29(34-30)28(22-17-15-21-26-32-2)31-24-19-16-20-25-31;1-6-2-4-7(5-3-6)11(8,9)10/h16,19-20,24-25,28-30H,3-15,17-18,21-23,26-27H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1