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

Systemtic Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[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=C2C#N)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c21-16-19-8-4-5-9-20(19)17-22-11-13-23(14-12-22)26(24,25)15-10-18-6-2-1-3-7-18/h1-10,15H,11-14,17H2/p+1/b15-10+