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

Systemtic Name: 4-fluoranyl-3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-fluoro-benzonitrile CAS Name: 4-fluoro-3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-fluorobenzonitrile Traditional Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-fluoro-benzonitrile Formula: C19H21FN3O2S+ MolecularWeight: 374.452343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C#N)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C#N)F)S(=O)(=O)CC3=CC=CC=C3

InChI

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