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

Systemtic Name: 1-(4-naphthalen-1-yloxybutyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride Openeye Name: 1-[4-(1-naphthyloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride CAS Name: 1-[4-(1-naphthalenyloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride IUPAC Name: 1-(4-naphthalen-1-yloxybutyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride Traditional Name: 1-[4-(1-naphthoxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride Formula: C25H28ClF3N2O MolecularWeight: 464.95083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCOC2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCCCOC2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F.[Cl-]

InChI

InChI=1S/C25H27F3N2O.ClH/c26-25(27,28)21-9-6-10-22(19-21)30-16-14-29(15-17-30)13-3-4-18-31-24-12-5-8-20-7-1-2-11-23(20)24;/h1-2,5-12,19H,3-4,13-18H2;1H