[8-[1-(diethylamino)-2-oxidanyl-ethyl]quinolin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [8-[1-(diethylamino)-2-oxidanyl-ethyl]quinolin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [8-[1-(diethylamino)-2-hydroxy-ethyl]-2-quinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [8-[1-(diethylamino)-2-hydroxyethyl]-2-quinolinyl] ester IUPAC Name: [8-[1-(diethylamino)-2-hydroxyethyl]quinolin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [8-[1-(diethylamino)-2-hydroxy-ethyl]-2-quinolyl] ester Formula: C16H19F3N2O4S MolecularWeight: 392.39327

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CO)C1=CC=CC2=C1N=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCN(CC)C(CO)C1=CC=CC2=C1N=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O4S/c1-3-21(4-2)13(10-22)12-7-5-6-11-8-9-14(20-15(11)12)25-26(23,24)16(17,18)19/h5-9,13,22H,3-4,10H2,1-2H3