1-[(4-bromophenyl)methyl]-4-[1-(naphthalen-2-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium dihexafluorophosphate

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[1-(naphthalen-2-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium dihexafluorophosphate Openeye Name: 1-[(4-bromophenyl)methyl]-4-[1-(2-naphthylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium dihexafluorophosphate CAS Name: 1-[(4-bromophenyl)methyl]-4-[1-(2-naphthalenylmethyl)-4-pyridin-1-iumyl]pyridin-1-ium dihexafluorophosphate IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[1-(naphthalen-2-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium dihexafluorophosphate Traditional Name: 1-(4-bromobenzyl)-4-[1-(2-naphthylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium dihexafluorophosphate Formula: C28H23BrF12N2P2 MolecularWeight: 757.32798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)CC5=CC=C(C=C5)Br.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)CC5=CC=C(C=C5)Br.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C28H23BrN2.2F6P/c29-28-9-6-22(7-10-28)20-30-15-11-25(12-16-30)26-13-17-31(18-14-26)21-23-5-8-24-3-1-2-4-27(24)19-23;2*1-7(2,3,4,5)6/h1-19H,20-21H2;;/q+2;2*-1