2-(1,3-dioxolan-2-yl)-1-[[3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]-2-(trifluoromethyl)phenyl]methyl]pyridin-1-ium dibromide

Systemtic Name: 2-(1,3-dioxolan-2-yl)-1-[[3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]-2-(trifluoromethyl)phenyl]methyl]pyridin-1-ium dibromide Openeye Name: 2-(1,3-dioxolan-2-yl)-1-[[3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]-2-(trifluoromethyl)phenyl]methyl]pyridin-1-ium dibromide CAS Name: 2-(1,3-dioxolan-2-yl)-1-[[3-[[2-(1,3-dioxolan-2-yl)-1-pyridin-1-iumyl]methyl]-2-(trifluoromethyl)phenyl]methyl]pyridin-1-ium dibromide IUPAC Name: 2-(1,3-dioxolan-2-yl)-1-[[3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]-2-(trifluoromethyl)phenyl]methyl]pyridin-1-ium dibromide Traditional Name: 2-(1,3-dioxolan-2-yl)-1-[3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]-2-(trifluoromethyl)benzyl]pyridin-1-ium dibromide Formula: C25H25Br2F3N2O4 MolecularWeight: 634.28021

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=CC=CC=[N+]2CC3=C(C(=CC=C3)C[N+]4=CC=CC=C4C5OCCO5)C(F)(F)F.[Br-].[Br-]

Isomeric SMILES

C1COC(O1)C2=CC=CC=[N+]2CC3=C(C(=CC=C3)C[N+]4=CC=CC=C4C5OCCO5)C(F)(F)F.[Br-].[Br-]

InChI

InChI=1S/C25H25F3N2O4.2BrH/c26-25(27,28)22-18(16-29-10-3-1-8-20(29)23-31-12-13-32-23)6-5-7-19(22)17-30-11-4-2-9-21(30)24-33-14-15-34-24;;/h1-11,23-24H,12-17H2;2*1H/q+2;;/p-2