1-[(2-methoxy-4-phenylmethoxy-phenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium

Systemtic Name: 1-[(2-methoxy-4-phenylmethoxy-phenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium Openeye Name: 1-[(4-benzyloxy-2-methoxy-phenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium Traditional Name: 1-(4-benzoxy-2-methoxy-benzyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium Formula: C25H27F3N3O2+ MolecularWeight: 458.49599

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

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