(3S)-1-(1,3-benzodioxol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-[4-(2-pyridyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-[4-(2-pyridinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-[4-(2-pyridyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5

InChI

InChI=1S/C20H20N4O4/c25-19-12-15(22-7-9-23(10-8-22)18-3-1-2-6-21-18)20(26)24(19)14-4-5-16-17(11-14)28-13-27-16/h1-6,11,15H,7-10,12-13H2/p+1/t15-/m0/s1