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

Systemtic Name: 4-[[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(4-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H19N4O2S+ MolecularWeight: 367.44476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S/c20-13-16-1-3-18(4-2-16)15-22-9-11-23(12-10-22)26(24,25)19-7-5-17(14-21)6-8-19/h1-8H,9-12,15H2/p+1