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

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[oxidanyl(pyridin-4-yl)methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy(4-pyridyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy(pyridin-4-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy(pyridin-4-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy(4-pyridyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C20H19N4O3S+ MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S/c25-18(14-4-6-21-7-5-14)16-17(15-3-1-12-28-15)24(20(27)19(16)26)10-2-9-23-11-8-22-13-23/h1,3-8,11-13,17H,2,9-10H2,(H,25,26)/p+1