(3S)-1-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3,5-dimethoxyphenyl)-3-(4-ethyl-1-piperazine-1,4-diiumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C18H27N3O4+2 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C18H25N3O4/c1-4-19-5-7-20(8-6-19)16-12-17(22)21(18(16)23)13-9-14(24-2)11-15(10-13)25-3/h9-11,16H,4-8,12H2,1-3H3/p+2/t16-/m0/s1