3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c21-16-19-7-4-8-20(15-19)17-22-10-12-23(13-11-22)26(24,25)14-9-18-5-2-1-3-6-18/h1-9,14-15H,10-13,17H2/p+1/b14-9+