[(2S)-6-azaniumyl-1-oxidanylidene-1-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]amino]hexan-2-yl]azanium

Systemtic Name: [(2S)-6-azaniumyl-1-oxidanylidene-1-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]amino]hexan-2-yl]azanium Openeye Name: [(5S)-5-azaniumyl-6-oxo-6-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]hexyl]ammonium CAS Name: [(2S)-6-ammonio-1-oxo-1-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]hexan-2-yl]ammonium IUPAC Name: [(2S)-6-azaniumyl-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]hexan-2-yl]azanium Traditional Name: [(5S)-5-ammonio-6-keto-6-[[2-keto-4-(trifluoromethyl)chromen-7-yl]amino]hexyl]ammonium Formula: C16H20F3N3O3+2 MolecularWeight: 359.34351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C(CCCC[NH3+])[NH3+])OC(=O)C=C2C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)[C@H](CCCC[NH3+])[NH3+])OC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C16H18F3N3O3/c17-16(18,19)11-8-14(23)25-13-7-9(4-5-10(11)13)22-15(24)12(21)3-1-2-6-20/h4-5,7-8,12H,1-3,6,20-21H2,(H,22,24)/p+2/t12-/m0/s1