[(3S)-1,1-dimethylpiperidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [(3S)-1,1-dimethylpiperidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(3S)-1,1-dimethylpiperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(3S)-1,1-dimethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1,1-dimethylpiperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(3S)-1,1-dimethylpiperidin-1-ium-3-yl] ester Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

Isomeric SMILES

C[N+]1(CCC[C@@H](C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1/t19-/m0/s1