1-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C21H25N2O3S+ MolecularWeight: 385.4998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-18(24)20-10-5-11-21(17-20)27(25,26)23-15-13-22(14-16-23)12-6-9-19-7-3-2-4-8-19/h2-11,17H,12-16H2,1H3/p+1/b9-6+