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

Systemtic Name: 4-[[4-(4-chloranyl-2-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(4-chloro-2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H18ClFN3O2S+ MolecularWeight: 394.870823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN3O2S/c19-16-5-6-18(17(20)11-16)26(24,25)23-9-7-22(8-10-23)13-15-3-1-14(12-21)2-4-15/h1-6,11H,7-10,13H2/p+1