2-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione tetrafluoroborate

Systemtic Name: 2-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione tetrafluoroborate Openeye Name: 2-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione tetrafluoroborate CAS Name: 2-(1-pyridin-1-iumyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione tetrafluoroborate IUPAC Name: 2-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione tetrafluoroborate Traditional Name: 2-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone tetrafluoroborate Formula: C13H13BF4N2O2 MolecularWeight: 316.059133

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1C=CCC2C1C(=O)N(C2=O)[N+]3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.C1C=CCC2C1C(=O)N(C2=O)[N+]3=CC=CC=C3

InChI

InChI=1S/C13H13N2O2.BF4/c16-12-10-6-2-3-7-11(10)13(17)15(12)14-8-4-1-5-9-14;2-1(3,4)5/h1-5,8-11H,6-7H2;/q+1;-1