(3S)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(4-methyl-1-piperazine-1,4-diiumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C16H21N3O4+2 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H19N3O4/c1-17-4-6-18(7-5-17)12-9-15(20)19(16(12)21)11-2-3-13-14(8-11)23-10-22-13/h2-3,8,12H,4-7,9-10H2,1H3/p+2/t12-/m0/s1