1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-(3,4-difluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(3,4-difluorophenyl)sulfonyl-piperazin-1-ium Formula: C19H21F2N2O2S+ MolecularWeight: 379.444046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F2N2O2S/c20-18-9-8-17(15-19(18)21)26(24,25)23-13-11-22(12-14-23)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/p+1/b7-4+