[(5-chloranyl-3-oxidanylidene-2H-benzotriazol-3-ium-1-yl)-(dimethylamino)methylidene]-dimethyl-azanium hexafluorophosphate

Systemtic Name: [(5-chloranyl-3-oxidanylidene-2H-benzotriazol-3-ium-1-yl)-(dimethylamino)methylidene]-dimethyl-azanium hexafluorophosphate Openeye Name: [(5-chloro-3-oxo-2H-benzotriazol-3-ium-1-yl)-(dimethylamino)methylene]-dimethyl-ammonium hexafluorophosphate CAS Name: [(5-chloro-3-oxo-2H-benzotriazol-3-ium-1-yl)-(dimethylamino)methylidene]-dimethylammonium hexafluorophosphate IUPAC Name: [(5-chloro-3-oxo-2H-benzotriazol-3-ium-1-yl)-(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate Traditional Name: [(5-chloro-3-keto-2H-benzotriazol-3-ium-1-yl)-(dimethylamino)methylene]-dimethyl-ammonium hexafluorophosphate Formula: C11H16ClF6N5OP+ MolecularWeight: 414.69482

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=[N+](C)C)N1C2=C(C=C(C=C2)Cl)[N+](=O)N1.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CN(C)C(=[N+](C)C)N1C2=C(C=C(C=C2)Cl)[N+](=O)N1.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C11H16ClN5O.F6P/c1-14(2)11(15(3)4)16-9-6-5-8(12)7-10(9)17(18)13-16;1-7(2,3,4,5)6/h5-7H,1-4H3,(H,13,18);/q+2;-1