1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate

Systemtic Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate Openeye Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate CAS Name: 1-[(4-nitrophenyl)methyl]-4-pyridin-1-iumcarbonitrile tetrafluoroborate IUPAC Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium-4-carbonitrile tetrafluoroborate Formula: C13H10BF4N3O2 MolecularWeight: 327.042013

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H10N3O2.BF4/c14-9-11-5-7-15(8-6-11)10-12-1-3-13(4-2-12)16(17)18;2-1(3,4)5/h1-8H,10H2;/q+1;-1