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

Systemtic Name: N-(phenylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(phenylmethyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide Formula: C21H26N3S+ MolecularWeight: 352.51624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3S/c25-21(22-18-20-10-5-2-6-11-20)24-16-14-23(15-17-24)13-7-12-19-8-3-1-4-9-19/h1-12H,13-18H2,(H,22,25)/p+1/b12-7+