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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H60NO3.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-36-39-32-34(40-36)31-38-30-22-17-16-21-28-37-29-23-25-33-24-19-20-26-35(33)37;1-6-2-4-7(5-3-6)11(8,9)10/h19-20,23-26,29,34,36H,2-18,21-22,27-28,30-32H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1