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

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(3-phenoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(3-phenoxybenzyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C24H24F3N2O+ MolecularWeight: 413.45537

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C24H23F3N2O/c25-24(26,27)20-7-5-8-21(17-20)29-14-12-28(13-15-29)18-19-6-4-11-23(16-19)30-22-9-2-1-3-10-22/h1-11,16-17H,12-15,18H2/p+1