(1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate bromide

Systemtic Name: (1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate bromide Openeye Name: (1-ethylquinuclidin-1-ium-3-yl) benzoate bromide CAS Name: benzoic acid (1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester bromide IUPAC Name: (1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate bromide Traditional Name: benzoic acid (1-ethylquinuclidin-1-ium-3-yl) ester bromide Formula: C16H22BrNO2 MolecularWeight: 340.25538

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]12CCC(CC1)C(C2)OC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC[N+]12CCC(CC1)C(C2)OC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H22NO2.BrH/c1-2-17-10-8-13(9-11-17)15(12-17)19-16(18)14-6-4-3-5-7-14;/h3-7,13,15H,2,8-12H2,1H3;1H/q+1;/p-1