2-isoquinolin-2-ium-2-ylethanenitrile tetrafluoroborate

Systemtic Name: 2-isoquinolin-2-ium-2-ylethanenitrile tetrafluoroborate Openeye Name: 2-isoquinolin-2-ium-2-ylacetonitrile tetrafluoroborate CAS Name: 2-(2-isoquinolin-2-iumyl)acetonitrile tetrafluoroborate IUPAC Name: 2-isoquinolin-2-ium-2-ylacetonitrile tetrafluoroborate Traditional Name: 2-isoquinolin-2-ium-2-ylacetonitrile tetrafluoroborate Formula: C11H9BF4N2 MolecularWeight: 256.007173

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C2C=[N+](C=CC2=C1)CC#N

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C2C=[N+](C=CC2=C1)CC#N

InChI

InChI=1S/C11H9N2.BF4/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13;2-1(3,4)5/h1-5,7,9H,8H2;/q+1;-1