2H-benzotriazole; 1,2-dihydrobenzotriazol-4-one; [methoxy(methylamino)methylidene]-dimethyl-azanium; hexafluorophosphate

Systemtic Name: 2H-benzotriazole; 1,2-dihydrobenzotriazol-4-one; [methoxy(methylamino)methylidene]-dimethyl-azanium; hexafluorophosphate Openeye Name: 2H-benzotriazole; 1,2-dihydrobenzotriazol-4-one; [methoxy(methylamino)methylene]-dimethyl-ammonium; hexafluorophosphate CAS Name: 2H-benzotriazole; 1,2-dihydrobenzotriazol-4-one; [methoxy(methylamino)methylidene]-dimethylammonium; hexafluorophosphate IUPAC Name: 2H-benzotriazole; 1,2-dihydrobenzotriazol-4-one; [methoxy(methylamino)methylidene]-dimethylazanium; hexafluorophosphate Traditional Name: 2H-benzotriazole; 1,2-dihydrobenzotriazol-4-one; [methoxy(methylamino)methylene]-dimethyl-ammonium; hexafluorophosphate Formula: C17H23F6N8O2P MolecularWeight: 516.3811

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=[N+](C)C)OC.C1=CC2=NNN=C2C=C1.C1=CC(=O)C2=NNNC2=C1.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CNC(=[N+](C)C)OC.C1=CC2=NNN=C2C=C1.C1=CC(=O)C2=NNNC2=C1.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C6H5N3O.C6H5N3.C5H12N2O.F6P/c10-5-3-1-2-4-6(5)8-9-7-4;1-2-4-6-5(3-1)7-9-8-6;1-6-5(8-4)7(2)3;1-7(2,3,4,5)6/h1-3,7,9H;1-4H,(H,7,8,9);1-4H3;/q;;;-1/p+1