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

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[oxidanyl(pyridin-4-yl)methylidene]-5-phenyl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy(4-pyridyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy(pyridin-4-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenylpyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy(pyridin-4-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy(4-pyridyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-pyrrolidine-2,3-quinone Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c27-20(17-7-9-23-10-8-17)18-19(16-5-2-1-3-6-16)26(22(29)21(18)28)13-4-12-25-14-11-24-15-25/h1-3,5-11,14-15,19H,4,12-13H2,(H,27,28)/p+1