(2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl 2-phenylethanoate tetrafluoroborate

Systemtic Name: (2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl 2-phenylethanoate tetrafluoroborate Openeye Name: (2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl 2-phenylacetate tetrafluoroborate CAS Name: 2-phenylacetic acid (2-cyano-1-methyl-4-pyridin-1-iumyl)methyl ester tetrafluoroborate IUPAC Name: (2-cyano-1-methylpyridin-1-ium-4-yl)methyl 2-phenylacetate tetrafluoroborate Traditional Name: 2-phenylacetic acid (2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl ester tetrafluoroborate Formula: C16H15BF4N2O2 MolecularWeight: 354.107113

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=C(C=C(C=C1)COC(=O)CC2=CC=CC=C2)C#N

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=C(C=C(C=C1)COC(=O)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H15N2O2.BF4/c1-18-8-7-14(9-15(18)11-17)12-20-16(19)10-13-5-3-2-4-6-13;2-1(3,4)5/h2-9H,10,12H2,1H3;/q+1;-1