(4-ethynylphenyl)-(1-methylpyridin-1-ium-4-yl)methanone tetrafluoroborate

Systemtic Name: (4-ethynylphenyl)-(1-methylpyridin-1-ium-4-yl)methanone tetrafluoroborate Openeye Name: (4-ethynylphenyl)-(1-methylpyridin-1-ium-4-yl)methanone tetrafluoroborate CAS Name: (4-ethynylphenyl)-(1-methyl-4-pyridin-1-iumyl)methanone tetrafluoroborate IUPAC Name: (4-ethynylphenyl)-(1-methylpyridin-1-ium-4-yl)methanone tetrafluoroborate Traditional Name: (4-ethynylphenyl)-(1-methylpyridin-1-ium-4-yl)methanone tetrafluoroborate Formula: C15H12BF4NO MolecularWeight: 309.066493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12NO.BF4/c1-3-12-4-6-13(7-5-12)15(17)14-8-10-16(2)11-9-14;2-1(3,4)5/h1,4-11H,2H3;/q+1;-1