[4-oxidanylidene-3-(phenylmethyl)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-oxidanylidene-3-(phenylmethyl)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: (3-benzyl-4-oxo-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-5-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-oxo-3-(phenylmethyl)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-5-yl] ester IUPAC Name: (3-benzyl-4-oxo-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-5-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3-benzyl-4-keto-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-5-yl) ester Formula: C18H15F3N2O4S MolecularWeight: 412.38291

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C(N2C1)C=CN(C3=O)CC4=CC=CC=C4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CC2=C(C3=C(N2C1)C=CN(C3=O)CC4=CC=CC=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O4S/c19-18(20,21)28(25,26)27-16-14-7-4-9-23(14)13-8-10-22(17(24)15(13)16)11-12-5-2-1-3-6-12/h1-3,5-6,8,10H,4,7,9,11H2