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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide Formula: C21H25ClN3S+ MolecularWeight: 386.9613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3S/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+