4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H21ClN3O2S+ MolecularWeight: 402.91764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c21-20-7-5-17(6-8-20)9-14-27(25,26)24-12-10-23(11-13-24)16-19-3-1-18(15-22)2-4-19/h1-9,14H,10-13,16H2/p+1/b14-9+