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

Systemtic Name: (3S)-1-(4-methoxyphenyl)-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-benzoyl-1-piperazin-1-iumyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4/c1-29-18-9-7-17(8-10-18)25-20(26)15-19(22(25)28)23-11-13-24(14-12-23)21(27)16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3/p+1/t19-/m0/s1