2-[(4E,5S)-2,3-bis(oxidanylidene)-4-[oxidanyl(phenyl)methylidene]-5-pyridin-4-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4E,5S)-2,3-bis(oxidanylidene)-4-[oxidanyl(phenyl)methylidene]-5-pyridin-4-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4E,5S)-4-[hydroxy(phenyl)methylene]-2,3-dioxo-5-(4-pyridyl)pyrrolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4E,5S)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-pyridin-4-yl-1-pyrrolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(4E,5S)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(4E,5S)-4-[hydroxy(phenyl)methylene]-2,3-diketo-5-(4-pyridyl)pyrrolidino]ethyl-dimethyl-ammonium Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C2=CC=CC=C2)O)C(=O)C1=O)C3=CC=NC=C3

Isomeric SMILES

C[NH+](C)CCN1[C@H](/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC=NC=C3

InChI

InChI=1S/C20H21N3O3/c1-22(2)12-13-23-17(14-8-10-21-11-9-14)16(19(25)20(23)26)18(24)15-6-4-3-5-7-15/h3-11,17,24H,12-13H2,1-2H3/p+1/b18-16+/t17-/m0/s1