dimethyl-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl]azanium Openeye Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioyl]amino]ethyl]azanium Traditional Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C18H30N4S+2 MolecularWeight: 334.5226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4S/c1-20(2)12-10-19-18(23)22-15-13-21(14-16-22)11-6-9-17-7-4-3-5-8-17/h3-9H,10-16H2,1-2H3,(H,19,23)/p+2/b9-6+