1-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[3-methoxy-4-[3-(trifluoromethyl)benzyl]oxy-benzyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C25H28F3N3O2+2 MolecularWeight: 459.50393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H26F3N3O2/c1-32-23-16-19(17-30-11-13-31(14-12-30)24-7-2-3-10-29-24)8-9-22(23)33-18-20-5-4-6-21(15-20)25(26,27)28/h2-10,15-16H,11-14,17-18H2,1H3/p+2