1-[3-(4-fluoranylphenoxy)propylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[3-(4-fluoranylphenoxy)propylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[3-(4-fluorophenoxy)propylsulfonyl]piperazin-1-ium CAS Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-[3-(4-fluorophenoxy)propylsulfonyl]piperazin-1-ium Formula: C22H28FN2O3S+ MolecularWeight: 419.532723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)S(=O)(=O)CCCOC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)S(=O)(=O)CCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S/c23-21-9-11-22(12-10-21)28-18-5-19-29(26,27)25-16-14-24(15-17-25)13-4-8-20-6-2-1-3-7-20/h1-4,6-12H,5,13-19H2/p+1/b8-4+