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

Systemtic Name: (3S)-3-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)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)N2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H25N3O4/c1-16(27)17-3-5-18(6-4-17)24-11-13-25(14-12-24)21-15-22(28)26(23(21)29)19-7-9-20(30-2)10-8-19/h3-10,21H,11-15H2,1-2H3/p+1/t21-/m0/s1