[5-azanyl-2-(4-azanyl-3-fluoranyl-phenyl)-6,8-bis(fluoranyl)-4-oxidanylidene-chromen-7-yl]methyl-trimethyl-azanium iodide

Systemtic Name: [5-azanyl-2-(4-azanyl-3-fluoranyl-phenyl)-6,8-bis(fluoranyl)-4-oxidanylidene-chromen-7-yl]methyl-trimethyl-azanium iodide Openeye Name: [5-amino-2-(4-amino-3-fluoro-phenyl)-6,8-difluoro-4-oxo-chromen-7-yl]methyl-trimethyl-ammonium iodide CAS Name: [5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4-oxo-1-benzopyran-7-yl]methyl-trimethylammonium iodide IUPAC Name: [5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4-oxochromen-7-yl]methyl-trimethylazanium iodide Traditional Name: [5-amino-2-(4-amino-3-fluoro-phenyl)-6,8-difluoro-4-keto-chromen-7-yl]methyl-trimethyl-ammonium iodide Formula: C19H19F3IN3O2 MolecularWeight: 505.27274

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)N)F.[I-]

Isomeric SMILES

C[N+](C)(C)CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)N)F.[I-]

InChI

InChI=1S/C19H18F3N3O2.HI/c1-25(2,3)8-10-16(21)18(24)15-13(26)7-14(27-19(15)17(10)22)9-4-5-12(23)11(20)6-9;/h4-7H,8H2,1-3H3,(H3-,23,24,26);1H