1-[(2-fluorophenyl)methylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[(2-fluorophenyl)methylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-ium CAS Name: 1-[(2-fluorophenyl)methylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(2-fluorophenyl)methylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(2-fluorobenzyl)sulfonyl-piperazin-1-ium Formula: C20H24FN2O2S+ MolecularWeight: 375.480163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3F

InChI

InChI=1S/C20H23FN2O2S/c21-20-11-5-4-10-19(20)17-26(24,25)23-15-13-22(14-16-23)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2/p+1/b9-6+