2-pyridin-1-ium-1-yl-4H-isoquinoline-1,3-dione tetrafluoroborate

Systemtic Name: 2-pyridin-1-ium-1-yl-4H-isoquinoline-1,3-dione tetrafluoroborate Openeye Name: 2-pyridin-1-ium-1-yl-4H-isoquinoline-1,3-dione tetrafluoroborate CAS Name: 2-(1-pyridin-1-iumyl)-4H-isoquinoline-1,3-dione tetrafluoroborate IUPAC Name: 2-pyridin-1-ium-1-yl-4H-isoquinoline-1,3-dione tetrafluoroborate Traditional Name: 2-pyridin-1-ium-1-yl-4H-isoquinoline-1,3-quinone tetrafluoroborate Formula: C14H11BF4N2O2 MolecularWeight: 326.053953

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1C2=CC=CC=C2C(=O)N(C1=O)[N+]3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.C1C2=CC=CC=C2C(=O)N(C1=O)[N+]3=CC=CC=C3

InChI

InChI=1S/C14H11N2O2.BF4/c17-13-10-11-6-2-3-7-12(11)14(18)16(13)15-8-4-1-5-9-15;2-1(3,4)5/h1-9H,10H2;/q+1;-1