1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[oxidanyl(pyridin-4-yl)methylidene]-5-pyridin-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[oxidanyl(pyridin-4-yl)methylidene]-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy(4-pyridyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy(pyridin-4-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy(pyridin-4-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy(4-pyridyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C21H20N5O3+ MolecularWeight: 390.4152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2CCC[N+]4=CNC=C4

Isomeric SMILES

C1=CC(=CN=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2CCC[N+]4=CNC=C4

InChI

InChI=1S/C21H19N5O3/c27-19(15-4-7-22-8-5-15)17-18(16-3-1-6-23-13-16)26(21(29)20(17)28)11-2-10-25-12-9-24-14-25/h1,3-9,12-14,18H,2,10-11H2,(H,27,28)/p+1