4-(1,3-benzodioxol-5-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-4-piperonyloyl-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C23H24N3O6+ MolecularWeight: 438.45316

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(C(=O)C2=O)C(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(C(=O)C2=O)C(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

InChI

InChI=1S/C23H23N3O6/c27-21(15-3-4-17-18(12-15)32-14-31-17)19-20(16-2-1-5-24-13-16)26(23(29)22(19)28)7-6-25-8-10-30-11-9-25/h1-5,12-13,19-20H,6-11,14H2/p+1