[(1S)-1-phenyl-2-pyridin-1-ium-1-yl-ethyl]azanium ditetrafluoroborate

Systemtic Name: [(1S)-1-phenyl-2-pyridin-1-ium-1-yl-ethyl]azanium ditetrafluoroborate Openeye Name: [(1S)-1-phenyl-2-pyridin-1-ium-1-yl-ethyl]ammonium ditetrafluoroborate CAS Name: [(1S)-1-phenyl-2-(1-pyridin-1-iumyl)ethyl]ammonium ditetrafluoroborate IUPAC Name: [(1S)-1-phenyl-2-pyridin-1-ium-1-ylethyl]azanium ditetrafluoroborate Traditional Name: [(1S)-1-phenyl-2-pyridin-1-ium-1-yl-ethyl]ammonium ditetrafluoroborate Formula: C13H16B2F8N2 MolecularWeight: 373.888766

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)[NH3+]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)[C@@H](C[N+]2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C13H15N2.2BF4/c14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;2*2-1(3,4)5/h1-10,13H,11,14H2;;/q+1;2*-1/p+1/t13-;;/m1../s1