(1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-hydroxy-2-phenyl-acetate CAS Name: 2-(4-chlorophenyl)-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(4-chlorophenyl)-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C21H25ClNO3+ MolecularWeight: 374.8811

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O)C

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O)C

InChI

InChI=1S/C21H25ClNO3/c1-23(2)14-12-19(13-15-23)26-20(24)21(25,16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-11,19,25H,12-15H2,1-2H3/q+1