3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]benzaldehyde dihydrochloride

Systemtic Name: 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]benzaldehyde dihydrochloride Openeye Name: 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]benzaldehyde dihydrochloride CAS Name: 3-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]benzaldehyde dihydrochloride IUPAC Name: 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]benzaldehyde dihydrochloride Traditional Name: 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazino]propoxy]benzaldehyde dihydrochloride Formula: C21H25Cl2F3N2O2 MolecularWeight: 465.33661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC(=C2)C=O)C3=CC=CC(=C3)C(F)(F)F.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC(=C2)C=O)C3=CC=CC(=C3)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C21H23F3N2O2.2ClH/c22-21(23,24)18-5-2-6-19(15-18)26-11-9-25(10-12-26)8-3-13-28-20-7-1-4-17(14-20)16-27;;/h1-2,4-7,14-16H,3,8-13H2;2*1H