[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 2,2-diphenylethanoate

Systemtic Name: [(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 2,2-diphenylethanoate Openeye Name: [(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [(2S,4S,5S)-1,2,5-trimethyl-4-piperidin-1-iumyl] ester IUPAC Name: [(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] ester Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](C[NH+]1C)C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-16-15-23(3)17(2)14-20(16)25-22(24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20-21H,14-15H2,1-3H3/p+1/t16-,17-,20-/m0/s1