1-ethyl-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium ditetrafluoroborate

Systemtic Name: 1-ethyl-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium ditetrafluoroborate Openeye Name: 1-benzyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate CAS Name: 1-ethyl-4-[1-(phenylmethyl)-4-pyridin-1-iumyl]pyridin-1-ium ditetrafluoroborate IUPAC Name: 1-benzyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate Traditional Name: 1-benzyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate Formula: C19H20B2F8N2 MolecularWeight: 449.984726

Click to see the large picture

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)CC3=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)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2.2BF4/c1-2-20-12-8-18(9-13-20)19-10-14-21(15-11-19)16-17-6-4-3-5-7-17;2*2-1(3,4)5/h3-15H,2,16H2,1H3;;/q+2;2*-1