3-(3-methylimidazol-3-ium-1-yl)chromen-2-one tetrafluoroborate

Systemtic Name: 3-(3-methylimidazol-3-ium-1-yl)chromen-2-one tetrafluoroborate Openeye Name: 3-(3-methylimidazol-3-ium-1-yl)chromen-2-one tetrafluoroborate CAS Name: 3-(3-methyl-1-imidazol-3-iumyl)-1-benzopyran-2-one tetrafluoroborate IUPAC Name: 3-(3-methylimidazol-3-ium-1-yl)chromen-2-one tetrafluoroborate Traditional Name: 3-(3-methylimidazol-3-ium-1-yl)coumarin tetrafluoroborate Formula: C13H11BF4N2O2 MolecularWeight: 314.043253

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CN(C=C1)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CN(C=C1)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C13H11N2O2.BF4/c1-14-6-7-15(9-14)11-8-10-4-2-3-5-12(10)17-13(11)16;2-1(3,4)5/h2-9H,1H3;/q+1;-1