(1-ethyl-1-methyl-piperidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate hydrobromide

Systemtic Name: (1-ethyl-1-methyl-piperidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate hydrobromide Openeye Name: (1-ethyl-1-methyl-piperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate hydrobromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-ethyl-1-methyl-3-piperidin-1-iumyl) ester hydrobromide IUPAC Name: (1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate hydrobromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1-ethyl-1-methyl-piperidin-1-ium-3-yl) ester hydrobromide Formula: C22H29BrNO3+ MolecularWeight: 435.37456

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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)C.Br

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO3.BrH/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19;/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3;1H/q+1;