1-[8-[(4-hexadecyloxolan-2-yl)methoxy]octyl]pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-[8-[(4-hexadecyloxolan-2-yl)methoxy]octyl]pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-[8-[(4-hexadecyltetrahydrofuran-2-yl)methoxy]octyl]pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-[8-[(4-hexadecyl-2-oxolanyl)methoxy]octyl]pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[8-[(4-hexadecyloxolan-2-yl)methoxy]octyl]pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[8-[(4-cetyltetrahydrofuran-2-yl)methoxy]octyl]pyridin-1-ium tosylate Formula: C41H69NO5S MolecularWeight: 688.05526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CC(OC1)COCCCCCCCC[N+]2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CC(OC1)COCCCCCCCC[N+]2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C34H62NO2.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-25-33-30-34(37-31-33)32-36-29-24-18-15-14-17-21-26-35-27-22-19-23-28-35;1-6-2-4-7(5-3-6)11(8,9)10/h19,22-23,27-28,33-34H,2-18,20-21,24-26,29-32H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1