1-ethyl-4-(1-phenethylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate

Systemtic Name: 1-ethyl-4-(1-phenethylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate Openeye Name: 1-ethyl-4-(1-phenethylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate CAS Name: 1-ethyl-4-(1-phenethyl-4-pyridin-1-iumyl)pyridin-1-ium ditetrafluoroborate IUPAC Name: 1-ethyl-4-(1-phenethylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate Traditional Name: 1-ethyl-4-(1-phenethylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate Formula: C20H22B2F8N2 MolecularWeight: 464.011306

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCC3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2.2BF4/c1-2-21-14-9-19(10-15-21)20-11-16-22(17-12-20)13-8-18-6-4-3-5-7-18;2*2-1(3,4)5/h3-7,9-12,14-17H,2,8,13H2,1H3;;/q+2;2*-1