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

Systemtic Name: N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide Formula: C20H23ClN3S+ MolecularWeight: 372.93472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3S/c21-18-9-4-10-19(16-18)22-20(25)24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,22,25)/p+1/b8-5+