1-[(4-phenylmethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(4-phenylmethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(4-phenylmethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(4-phenylmethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(4-benzoxybenzyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C25H26F3N2O+ MolecularWeight: 427.48195

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H25F3N2O/c26-25(27,28)22-7-4-8-23(17-22)30-15-13-29(14-16-30)18-20-9-11-24(12-10-20)31-19-21-5-2-1-3-6-21/h1-12,17H,13-16,18-19H2/p+1