1-(2-naphthalen-1-yloxyethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride

Systemtic Name: 1-(2-naphthalen-1-yloxyethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride Openeye Name: 1-[2-(1-naphthyloxy)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride CAS Name: 1-[2-(1-naphthalenyloxy)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride IUPAC Name: 1-(2-naphthalen-1-yloxyethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride Traditional Name: 1-[2-(1-naphthoxy)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride Formula: C23H24ClF3N2O MolecularWeight: 436.89767

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F.[Cl-]

InChI

InChI=1S/C23H23F3N2O.ClH/c24-23(25,26)19-7-4-8-20(17-19)28-13-11-27(12-14-28)15-16-29-22-10-3-6-18-5-1-2-9-21(18)22;/h1-10,17H,11-16H2;1H