1-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione Openeye Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione CAS Name: 1-[4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]pyrrolidine-2,5-dione IUPAC Name: 1-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione Traditional Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidine-2,5-quinone Formula: C23H26N3O4S+ MolecularWeight: 440.53524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c27-22-12-13-23(28)26(22)20-8-10-21(11-9-20)31(29,30)25-17-15-24(16-18-25)14-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2/p+1/b7-4+