1-(phenylmethyl)-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-4-ium

Systemtic Name: 1-(phenylmethyl)-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-4-ium Openeye Name: 1-benzyl-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-4-ium CAS Name: 1-(phenylmethyl)-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-4-ium IUPAC Name: 1-benzyl-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-4-ium Formula: C21H26F3N2O+ MolecularWeight: 379.43915

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H25F3N2O/c22-21(23,24)19-8-4-9-20(16-19)27-15-5-10-25-11-13-26(14-12-25)17-18-6-2-1-3-7-18/h1-4,6-9,16H,5,10-15,17H2/p+1