(3S)-1-(4-ethanoylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-ethanoylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-acetylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-acetylphenyl)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-acetylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-acetylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H25N3O4/c1-16(27)17-7-9-18(10-8-17)26-22(28)15-20(23(26)29)25-13-11-24(12-14-25)19-5-3-4-6-21(19)30-2/h3-10,20H,11-15H2,1-2H3/p+1/t20-/m0/s1