ethyl 2-isoquinolin-2-ium-2-ylethanoate tetrafluoroborate

Systemtic Name: ethyl 2-isoquinolin-2-ium-2-ylethanoate tetrafluoroborate Openeye Name: ethyl 2-isoquinolin-2-ium-2-ylacetate tetrafluoroborate CAS Name: 2-(2-isoquinolin-2-iumyl)acetic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 2-isoquinolin-2-ium-2-ylacetate tetrafluoroborate Traditional Name: 2-isoquinolin-2-ium-2-ylacetic acid ethyl ester tetrafluoroborate Formula: C13H14BF4NO2 MolecularWeight: 303.060373

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H14NO2.BF4/c1-2-16-13(15)10-14-8-7-11-5-3-4-6-12(11)9-14;2-1(3,4)5/h3-9H,2,10H2,1H3;/q+1;-1