methyl 1-[(2-bromanylquinolin-3-yl)methyl]-2-fluoranyl-pyridin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl 1-[(2-bromanylquinolin-3-yl)methyl]-2-fluoranyl-pyridin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: methyl 1-[(2-bromo-3-quinolyl)methyl]-2-fluoro-pyridin-1-ium-3-carboxylate; trifluoromethanesulfonate CAS Name: 1-[(2-bromo-3-quinolinyl)methyl]-2-fluoro-3-pyridin-1-iumcarboxylic acid methyl ester; trifluoromethanesulfonate IUPAC Name: methyl 1-[(2-bromoquinolin-3-yl)methyl]-2-fluoropyridin-1-ium-3-carboxylate; trifluoromethanesulfonate Traditional Name: 1-[(2-bromo-3-quinolyl)methyl]-2-fluoro-pyridin-1-ium-3-carboxylic acid methyl ester triflate Formula: C18H13BrF4N2O5S MolecularWeight: 525.268833

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C([N+](=CC=C1)CC2=CC3=CC=CC=C3N=C2Br)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC(=O)C1=C([N+](=CC=C1)CC2=CC3=CC=CC=C3N=C2Br)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H13BrFN2O2.CHF3O3S/c1-23-17(22)13-6-4-8-21(16(13)19)10-12-9-11-5-2-3-7-14(11)20-15(12)18;2-1(3,4)8(5,6)7/h2-9H,10H2,1H3;(H,5,6,7)/q+1;/p-1