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

Systemtic Name: 1-[4-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-phenyl]pyrrolidine-2,5-dione Openeye Name: 1-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]pyrrolidine-2,5-dione CAS Name: 1-[4-methoxy-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]pyrrolidine-2,5-dione IUPAC Name: 1-[4-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione Traditional Name: 1-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]pyrrolidine-2,5-quinone Formula: C24H28N3O5S+ MolecularWeight: 470.56122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CCC2=O)S(=O)(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CCC2=O)S(=O)(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S/c1-32-21-10-9-20(27-23(28)11-12-24(27)29)18-22(21)33(30,31)26-16-14-25(15-17-26)13-5-8-19-6-3-2-4-7-19/h2-10,18H,11-17H2,1H3/p+1/b8-5+