4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl]pyridin-1-ium dibromide

Systemtic Name: 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl]pyridin-1-ium dibromide Openeye Name: 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)allyl]pyridin-1-ium dibromide CAS Name: 4-phenyl-1-[2-(4-phenyl-1-pyridin-1-iumyl)prop-2-enyl]pyridin-1-ium dibromide IUPAC Name: 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl]pyridin-1-ium dibromide Traditional Name: 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)allyl]pyridin-1-ium dibromide Formula: C25H22Br2N2 MolecularWeight: 510.26358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C[N+]1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC=C(C=C3)C4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

C=C(C[N+]1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC=C(C=C3)C4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C25H22N2.2BrH/c1-21(27-18-14-25(15-19-27)23-10-6-3-7-11-23)20-26-16-12-24(13-17-26)22-8-4-2-5-9-22;;/h2-19H,1,20H2;2*1H/q+2;;/p-2