[1-(2-ethoxy-2-oxidanylidene-ethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate bromide

Systemtic Name: [1-(2-ethoxy-2-oxidanylidene-ethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate bromide Openeye Name: [1-(2-ethoxy-2-oxo-ethyl)quinuclidin-1-ium-3-yl] benzoate bromide CAS Name: benzoic acid [1-(2-ethoxy-2-oxoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [1-(2-ethoxy-2-oxoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate bromide Traditional Name: benzoic acid [1-(2-ethoxy-2-keto-ethyl)quinuclidin-1-ium-3-yl] ester bromide Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24NO4.BrH/c1-2-22-17(20)13-19-10-8-14(9-11-19)16(12-19)23-18(21)15-6-4-3-5-7-15;/h3-7,14,16H,2,8-13H2,1H3;1H/q+1;/p-1