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

Systemtic Name: N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C15H22N3S+ MolecularWeight: 276.42028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3S/c1-16-15(19)18-12-10-17(11-13-18)9-5-8-14-6-3-2-4-7-14/h2-8H,9-13H2,1H3,(H,16,19)/p+1/b8-5+