3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c21-17-19-8-4-10-20(16-19)26(24,25)23-14-12-22(13-15-23)11-5-9-18-6-2-1-3-7-18/h1-10,16H,11-15H2/p+1/b9-5+