3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H19FN3O2S+ MolecularWeight: 360.425763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O2S/c19-17-5-2-6-18(12-17)25(23,24)22-9-7-21(8-10-22)14-16-4-1-3-15(11-16)13-20/h1-6,11-12H,7-10,14H2/p+1