[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propoxy]phenyl]azanium dichloride

Systemtic Name: [4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propoxy]phenyl]azanium dichloride Openeye Name: [4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propoxy]phenyl]ammonium dichloride CAS Name: [4-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propoxy]phenyl]ammonium dichloride IUPAC Name: [4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propoxy]phenyl]azanium dichloride Traditional Name: [4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propoxy]phenyl]ammonium dichloride Formula: C20H26Cl2F3N3O MolecularWeight: 452.34115

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)[NH3+])C3=CC=CC(=C3)C(F)(F)F.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)[NH3+])C3=CC=CC(=C3)C(F)(F)F.[Cl-].[Cl-]

InChI

InChI=1S/C20H24F3N3O.2ClH/c21-20(22,23)16-3-1-4-18(15-16)26-12-10-25(11-13-26)9-2-14-27-19-7-5-17(24)6-8-19;;/h1,3-8,15H,2,9-14,24H2;2*1H