(2S,5R)-1,5-dimethyl-2-(4-nitrophenyl)-5-oxidanyl-piperidin-4-one hydrochloride

Systemtic Name: (2S,5R)-1,5-dimethyl-2-(4-nitrophenyl)-5-oxidanyl-piperidin-4-one hydrochloride Openeye Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-nitrophenyl)piperidin-4-one hydrochloride CAS Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-nitrophenyl)-4-piperidinone hydrochloride IUPAC Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-nitrophenyl)piperidin-4-one hydrochloride Traditional Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-nitrophenyl)-4-piperidone hydrochloride Formula: C13H17ClN2O4 MolecularWeight: 300.73808

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C)O.Cl

Isomeric SMILES

C[C@]1(CN([C@@H](CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C)O.Cl

InChI

InChI=1S/C13H16N2O4.ClH/c1-13(17)8-14(2)11(7-12(13)16)9-3-5-10(6-4-9)15(18)19;/h3-6,11,17H,7-8H2,1-2H3;1H/t11-,13+;/m0./s1