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

Systemtic Name: (1,1-diethylpiperidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (1,1-diethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1,1-diethyl-3-piperidin-1-iumyl) ester bromide IUPAC Name: (1,1-diethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1,1-diethylpiperidin-1-ium-3-yl) ester bromide Formula: C23H30BrNO3 MolecularWeight: 448.3932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30NO3.BrH/c1-3-24(4-2)17-11-16-21(18-24)27-22(25)23(26,19-12-7-5-8-13-19)20-14-9-6-10-15-20;/h5-10,12-15,21,26H,3-4,11,16-18H2,1-2H3;1H/q+1;/p-1