4-[[4-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-chloro-6-fluoro-phenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-chloro-6-fluoro-phenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H20ClFN3O+ MolecularWeight: 372.843703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H19ClFN3O/c21-18-2-1-3-19(22)17(18)12-20(26)25-10-8-24(9-11-25)14-16-6-4-15(13-23)5-7-16/h1-7H,8-12,14H2/p+1