[(2R,3S)-1,2,6,6-tetramethylpiperidin-1-ium-3-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(2R,3S)-1,2,6,6-tetramethylpiperidin-1-ium-3-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(2R,3S)-1,2,6,6-tetramethylpiperidin-1-ium-3-yl] (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid [(2R,3S)-1,2,6,6-tetramethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(2R,3S)-1,2,6,6-tetramethylpiperidin-1-ium-3-yl] (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid [(2R,3S)-1,2,6,6-tetramethylpiperidin-1-ium-3-yl] ester Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC([NH+]1C)(C)C)OC(=O)C(C2=CC=CC=C2)O

Isomeric SMILES

C[C@@H]1[C@H](CCC([NH+]1C)(C)C)OC(=O)[C@H](C2=CC=CC=C2)O

InChI

InChI=1S/C17H25NO3/c1-12-14(10-11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3/p+1/t12-,14+,15+/m1/s1