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

Systemtic Name: [(2S)-1,1-dimethylpiperidin-1-ium-2-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(2S)-1,1-dimethylpiperidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(2S)-1,1-dimethyl-2-piperidin-1-iumyl]methyl ester IUPAC Name: [(2S)-1,1-dimethylpiperidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(2S)-1,1-dimethylpiperidin-1-ium-2-yl]methyl ester Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

Isomeric SMILES

C[N+]1(CCCC[C@H]1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C22H28NO3/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3/q+1/t20-/m0/s1