(3S)-1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C16H19N2O4+ MolecularWeight: 303.33306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H18N2O4/c19-15-9-12(17-6-2-1-3-7-17)16(20)18(15)11-4-5-13-14(8-11)22-10-21-13/h4-5,8,12H,1-3,6-7,9-10H2/p+1/t12-/m0/s1