N-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O2S/c28-22(23-16-19-8-9-20-21(15-19)27-17-26-20)25-13-11-24(12-14-25)10-4-7-18-5-2-1-3-6-18/h1-9,15H,10-14,16-17H2,(H,23,28)/p+1/b7-4+