(2S,3S)-2,3,5-trimethyl-2-(1-oxidanidylpyridin-1-ium-2-yl)-3H-pyran-4-one

Systemtic Name: (2S,3S)-2,3,5-trimethyl-2-(1-oxidanidylpyridin-1-ium-2-yl)-3H-pyran-4-one Openeye Name: (2S,3S)-2,3,5-trimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3H-pyran-4-one CAS Name: (2S,3S)-2,3,5-trimethyl-2-(1-oxido-2-pyridin-1-iumyl)-3H-pyran-4-one IUPAC Name: (2S,3S)-2,3,5-trimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3H-pyran-4-one Traditional Name: (2S,3S)-2,3,5-trimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3H-pyran-4-one Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=COC1(C)C2=CC=CC=[N+]2[O-])C

Isomeric SMILES

C[C@@H]1C(=O)C(=CO[C@]1(C)C2=CC=CC=[N+]2[O-])C

InChI

InChI=1S/C13H15NO3/c1-9-8-17-13(3,10(2)12(9)15)11-6-4-5-7-14(11)16/h4-8,10H,1-3H3/t10-,13+/m1/s1