N-methyl-1-(3-methyl-4-phenyl-1,2,3-thiadiazol-3-ium-5-yl)methanimine oxide tetrafluoroborate

Systemtic Name: N-methyl-1-(3-methyl-4-phenyl-1,2,3-thiadiazol-3-ium-5-yl)methanimine oxide tetrafluoroborate Openeye Name: N-methyl-1-(3-methyl-4-phenyl-thiadiazol-3-ium-5-yl)methanimine oxide tetrafluoroborate CAS Name: N-methyl-1-(3-methyl-4-phenyl-5-thiadiazol-3-iumyl)methanimine oxide tetrafluoroborate IUPAC Name: N-methyl-1-(3-methyl-4-phenylthiadiazol-3-ium-5-yl)methanimine oxide tetrafluoroborate Traditional Name: N-methyl-1-(3-methyl-4-phenyl-thiadiazol-3-ium-5-yl)methanimine oxide tetrafluoroborate Formula: C11H12BF4N3OS MolecularWeight: 321.102093

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=NSC(=C1C2=CC=CC=C2)C=[N+](C)[O-]

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=NSC(=C1C2=CC=CC=C2)/C=[N+](/C)\[O-]

InChI

InChI=1S/C11H12N3OS.BF4/c1-13(15)8-10-11(14(2)12-16-10)9-6-4-3-5-7-9;2-1(3,4)5/h3-8H,1-2H3;/q+1;-1/b13-8-;