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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CN=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CN=CC=C4)O

InChI

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