[(2S,4R,5R)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl] 2-phenoxyethanoate

Systemtic Name: [(2S,4R,5R)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl] 2-phenoxyethanoate Openeye Name: [(2S,4R,5R)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [(2S,4R,5R)-1,2,5-trimethyl-4-phenyl-4-piperidin-1-iumyl] ester IUPAC Name: [(2S,4R,5R)-1,2,5-trimethyl-4-phenylpiperidin-1-ium-4-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [(2S,4R,5R)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl] ester Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[C@@]([C@@H](C[NH+]1C)C)(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c1-17-15-23(3)18(2)14-22(17,19-10-6-4-7-11-19)26-21(24)16-25-20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3/p+1/t17-,18+,22-/m1/s1