[(1S,3S)-1-ethyl-1-methyl-piperidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: [(1S,3S)-1-ethyl-1-methyl-piperidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: [(1S,3S)-1-ethyl-1-methyl-piperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(1S,3S)-1-ethyl-1-methyl-3-piperidin-1-iumyl] ester bromide IUPAC Name: [(1S,3S)-1-ethyl-1-methylpiperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(1S,3S)-1-ethyl-1-methyl-piperidin-1-ium-3-yl] ester bromide Formula: C22H28BrNO3 MolecularWeight: 434.36662

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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(CCC[C@@H](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;/p-1/t20-,23-;/m0./s1