2H-benzotriazole; [dimethylamino(oxidanyl)methylidene]-dimethyl-azanium; hexafluorophosphate

Systemtic Name: 2H-benzotriazole; [dimethylamino(oxidanyl)methylidene]-dimethyl-azanium; hexafluorophosphate Openeye Name: 2H-benzotriazole; [dimethylamino(hydroxy)methylene]-dimethyl-ammonium; hexafluorophosphate CAS Name: 2H-benzotriazole; [dimethylamino(hydroxy)methylidene]-dimethylammonium; hexafluorophosphate IUPAC Name: 2H-benzotriazole; [dimethylamino(hydroxy)methylidene]-dimethylazanium; hexafluorophosphate Traditional Name: 2H-benzotriazole; [dimethylamino(hydroxy)methylene]-dimethyl-ammonium; hexafluorophosphate Formula: C11H18F6N5OP MolecularWeight: 381.2577

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=[N+](C)C)O.C1=CC2=NNN=C2C=C1.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CN(C)C(=[N+](C)C)O.C1=CC2=NNN=C2C=C1.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C6H5N3.C5H12N2O.F6P/c1-2-4-6-5(3-1)7-9-8-6;1-6(2)5(8)7(3)4;1-7(2,3,4,5)6/h1-4H,(H,7,8,9);1-4H3;/q;;-1/p+1