1-(phenylmethyl)quinolin-1-ium-3-carbonitrile tetrafluoroborate

Systemtic Name: 1-(phenylmethyl)quinolin-1-ium-3-carbonitrile tetrafluoroborate Openeye Name: 1-benzylquinolin-1-ium-3-carbonitrile tetrafluoroborate CAS Name: 1-(phenylmethyl)-3-quinolin-1-iumcarbonitrile tetrafluoroborate IUPAC Name: 1-benzylquinolin-1-ium-3-carbonitrile tetrafluoroborate Traditional Name: 1-benzylquinolin-1-ium-3-carbonitrile tetrafluoroborate Formula: C17H13BF4N2 MolecularWeight: 332.103133

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)C[N+]2=CC(=CC3=CC=CC=C32)C#N

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C[N+]2=CC(=CC3=CC=CC=C32)C#N

InChI

InChI=1S/C17H13N2.BF4/c18-11-15-10-16-8-4-5-9-17(16)19(13-15)12-14-6-2-1-3-7-14;2-1(3,4)5/h1-10,13H,12H2;/q+1;-1