3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c19-14-16-5-4-6-17(13-16)15-20-9-11-21(12-10-20)24(22,23)18-7-2-1-3-8-18/h1-8,13H,9-12,15H2/p+1