tert-butyl N-(3-methoxy-1H-isoindol-2-ium-5-yl)carbamate; tris(fluoranyl)methanesulfonate

Systemtic Name: tert-butyl N-(3-methoxy-1H-isoindol-2-ium-5-yl)carbamate; tris(fluoranyl)methanesulfonate Openeye Name: tert-butyl N-(3-methoxy-1H-isoindol-2-ium-5-yl)carbamate; trifluoromethanesulfonate CAS Name: N-(3-methoxy-1H-isoindol-2-ium-5-yl)carbamic acid tert-butyl ester; trifluoromethanesulfonate IUPAC Name: tert-butyl N-(3-methoxy-1H-isoindol-2-ium-5-yl)carbamate; trifluoromethanesulfonate Traditional Name: N-(3-methoxy-1H-isoindol-2-ium-5-yl)carbamic acid tert-butyl ester triflate Formula: C15H19F3N2O6S MolecularWeight: 412.38137

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(C[NH+]=C2OC)C=C1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C[NH+]=C2OC)C=C1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H18N2O3.CHF3O3S/c1-14(2,3)19-13(17)16-10-6-5-9-8-15-12(18-4)11(9)7-10;2-1(3,4)8(5,6)7/h5-7H,8H2,1-4H3,(H,16,17);(H,5,6,7)