4-[[4-(4-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-chloro-2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-chloro-2-fluorobenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H18ClFN3O+ MolecularWeight: 358.817123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C19H17ClFN3O/c20-16-5-6-17(18(21)11-16)19(25)24-9-7-23(8-10-24)13-15-3-1-14(12-22)2-4-15/h1-6,11H,7-10,13H2/p+1