2-[[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(3-chloro-4-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=CC=C2C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

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