(3R)-1-(1,3-benzodioxol-5-yl)-3-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(1,3-benzodioxol-5-yl)-3-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(1,3-benzodioxol-5-yl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(1,3-benzodioxol-5-yl)-3-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(1,3-benzodioxol-5-yl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(1,3-benzodioxol-5-yl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C(=O)C2CC[NH+](CC2)[C@@H]3CC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H25N3O5/c25-19-12-16(21(27)24(19)15-3-4-17-18(11-15)29-13-28-17)22-9-5-14(6-10-22)20(26)23-7-1-2-8-23/h3-4,11,14,16H,1-2,5-10,12-13H2/p+1/t16-/m1/s1