2-[(1S,2R)-1-oxidanyl-3-oxidanylidene-1-pyridin-4-yl-3-pyrrolidin-1-yl-propan-2-yl]isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[(1S,2R)-1-oxidanyl-3-oxidanylidene-1-pyridin-4-yl-3-pyrrolidin-1-yl-propan-2-yl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[(1R)-1-[(S)-hydroxy(4-pyridyl)methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-(1-pyrrolidinyl)propan-2-yl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[(1R)-1-[(S)-hydroxy(4-pyridyl)methyl]-2-keto-2-pyrrolidino-ethyl]isoindoline-1,3-quinone hydrochloride Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C(C2=CC=NC=C2)O)N3C(=O)C4=CC=CC=C4C3=O.Cl

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]([C@H](C2=CC=NC=C2)O)N3C(=O)C4=CC=CC=C4C3=O.Cl

InChI

InChI=1S/C20H19N3O4.ClH/c24-17(13-7-9-21-10-8-13)16(20(27)22-11-3-4-12-22)23-18(25)14-5-1-2-6-15(14)19(23)26;/h1-2,5-10,16-17,24H,3-4,11-12H2;1H/t16-,17+;/m1./s1