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

Systemtic Name: (1-methylpyridin-1-ium-4-yl)-(4-methylsulfanylphenyl)methanone tetrafluoroborate Openeye Name: (1-methylpyridin-1-ium-4-yl)-(4-methylsulfanylphenyl)methanone tetrafluoroborate CAS Name: (1-methyl-4-pyridin-1-iumyl)-[4-(methylthio)phenyl]methanone tetrafluoroborate IUPAC Name: (1-methylpyridin-1-ium-4-yl)-(4-methylsulfanylphenyl)methanone tetrafluoroborate Traditional Name: (1-methylpyridin-1-ium-4-yl)-[4-(methylthio)phenyl]methanone tetrafluoroborate Formula: C14H14BF4NOS MolecularWeight: 331.136673

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C14H14NOS.BF4/c1-15-9-7-12(8-10-15)14(16)11-3-5-13(17-2)6-4-11;2-1(3,4)5/h3-10H,1-2H3;/q+1;-1