4-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylmethyl]benzonitrile CAS Name: 4-[[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]sulfonylmethyl]benzonitrile Formula: C19H21FN3O2S+ MolecularWeight: 374.452343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)S(=O)(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)S(=O)(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H20FN3O2S/c20-19-4-2-1-3-18(19)14-22-9-11-23(12-10-22)26(24,25)15-17-7-5-16(13-21)6-8-17/h1-8H,9-12,14-15H2/p+1