1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-(4-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-(4-fluorophenyl)piperazin-1-ium Openeye Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(4-fluorophenyl)piperazin-1-ium CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(4-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(4-fluorophenyl)piperazin-1-ium Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-(4-fluorophenyl)piperazin-1-ium Formula: C23H23ClFN2O+ MolecularWeight: 397.892923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22ClFN2O/c24-19-4-10-22(11-5-19)28-23-3-1-2-18(16-23)17-26-12-14-27(15-13-26)21-8-6-20(25)7-9-21/h1-11,16H,12-15,17H2/p+1