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

Systemtic Name: 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium ditetrafluoroborate Openeye Name: 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate CAS Name: 1-(phenylmethyl)-4-[1-(phenylmethyl)-4-pyridin-1-iumyl]pyridin-1-ium ditetrafluoroborate IUPAC Name: 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate Traditional Name: 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium ditetrafluoroborate Formula: C48H44B2F8N4+2 MolecularWeight: 850.498986

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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[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=CC=C4.C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=CC=C4.C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=CC=C4

InChI

InChI=1S/2C24H22N2.2BF4/c2*1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;2*2-1(3,4)5/h2*1-18H,19-20H2;;/q2*+2;2*-1