1-(2-oxidanylpropyl)-4-(phenylcarbonyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 1-(2-oxidanylpropyl)-4-(phenylcarbonyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-benzoyl-1-(2-hydroxypropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-benzoyl-1-(2-hydroxypropyl)-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-benzoyl-1-(2-hydroxypropyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-benzoyl-1-(2-hydroxypropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C19H19N2O4+ MolecularWeight: 339.36516

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(C(C(=O)C1=O)C(=O)C2=CC=CC=C2)C3=C[NH+]=CC=C3)O

Isomeric SMILES

CC(CN1C(C(C(=O)C1=O)C(=O)C2=CC=CC=C2)C3=C[NH+]=CC=C3)O

InChI

InChI=1S/C19H18N2O4/c1-12(22)11-21-16(14-8-5-9-20-10-14)15(18(24)19(21)25)17(23)13-6-3-2-4-7-13/h2-10,12,15-16,22H,11H2,1H3/p+1