2-[[2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2,4-difluorophenyl)-1-oxo-isoquinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(2,4-difluorophenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2,4-difluorophenyl)-1-keto-isoquinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H20F2N3O2+ MolecularWeight: 372.388506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C20H19F2N3O2/c1-24(2)10-9-23-19(26)16-12-25(18-8-7-13(21)11-17(18)22)20(27)15-6-4-3-5-14(15)16/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)/p+1