N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide Formula: C20H22ClFN3S+ MolecularWeight: 390.925183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H21ClFN3S/c21-18-15-17(8-9-19(18)22)23-20(26)25-13-11-24(12-14-25)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2,(H,23,26)/p+1/b7-4+