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

Systemtic Name: N-ethyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-ethyl-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-ethyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H23N3S/c1-2-17-16(20)19-13-11-18(12-14-19)10-6-9-15-7-4-3-5-8-15/h3-9H,2,10-14H2,1H3,(H,17,20)/p+1/b9-6+