(1,1-dimethylpiperidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1,1-dimethyl-3-piperidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1,1-dimethylpiperidin-1-ium-3-yl) ester bromide Formula: C21H26BrNO3 MolecularWeight: 420.34004

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO3.BrH/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;1H/q+1;/p-1