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

Systemtic Name: 1-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one CAS Name: 1-[4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]-2-pyrrolidone Formula: C23H28N3O3S+ MolecularWeight: 426.55172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c27-23-9-5-15-26(23)21-10-12-22(13-11-21)30(28,29)25-18-16-24(17-19-25)14-4-8-20-6-2-1-3-7-20/h1-4,6-8,10-13H,5,9,14-19H2/p+1/b8-4+