2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide Formula: C24H31N3OS+2 MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H29N3OS/c1-2-19-29-23-13-7-6-12-22(23)25-24(28)20-27-17-15-26(16-18-27)14-8-11-21-9-4-3-5-10-21/h2-13H,1,14-20H2,(H,25,28)/p+2/b11-8+