N-[(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(4-fluorobenzyl)piperazin-4-ium-1-carbothioamide Formula: C21H25FN3S+ MolecularWeight: 370.506703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3S/c22-20-10-8-19(9-11-20)17-23-21(26)25-15-13-24(14-16-25)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2,(H,23,26)/p+1/b7-4+