2-(fluoranylmethyl)-3-methyl-1,3-benzothiazol-3-ium tetrafluoroborate

Systemtic Name: 2-(fluoranylmethyl)-3-methyl-1,3-benzothiazol-3-ium tetrafluoroborate Openeye Name: 2-(fluoromethyl)-3-methyl-1,3-benzothiazol-3-ium tetrafluoroborate CAS Name: 2-(fluoromethyl)-3-methyl-1,3-benzothiazol-3-ium tetrafluoroborate IUPAC Name: 2-(fluoromethyl)-3-methyl-1,3-benzothiazol-3-ium tetrafluoroborate Traditional Name: 2-(fluoromethyl)-3-methyl-1,3-benzothiazol-3-ium tetrafluoroborate Formula: C9H9BF5NS MolecularWeight: 269.042476

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=C(SC2=CC=CC=C21)CF

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=C(SC2=CC=CC=C21)CF

InChI

InChI=1S/C9H9FNS.BF4/c1-11-7-4-2-3-5-8(7)12-9(11)6-10;2-1(3,4)5/h2-5H,6H2,1H3;/q+1;-1