1-[7-[(4-hexadecyloxolan-2-yl)methoxy]heptyl]pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-[7-[(4-hexadecyloxolan-2-yl)methoxy]heptyl]pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-[7-[(4-hexadecyltetrahydrofuran-2-yl)methoxy]heptyl]pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-[7-[(4-hexadecyl-2-oxolanyl)methoxy]heptyl]pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[7-[(4-hexadecyloxolan-2-yl)methoxy]heptyl]pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[7-[(4-cetyltetrahydrofuran-2-yl)methoxy]heptyl]pyridin-1-ium tosylate Formula: C40H67NO5S MolecularWeight: 674.02868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H60NO2.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-24-32-29-33(36-30-32)31-35-28-23-17-14-16-20-25-34-26-21-18-22-27-34;1-6-2-4-7(5-3-6)11(8,9)10/h18,21-22,26-27,32-33H,2-17,19-20,23-25,28-31H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1