2-[[1-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[[1-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[1-[2-(4-methoxyanilino)-2-oxo-ethyl]quinuclidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[1-[2-(4-methoxyanilino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[1-[2-(4-methoxyanilino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[1-[2-keto-2-(p-anisidino)ethyl]quinuclidin-1-ium-3-yl]oxy-1,1-diphenyl-ethanolate Formula: C30H32N2O5 MolecularWeight: 500.58548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[N+]23CCC(CC2)C(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[N+]23CCC(CC2)C(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-]

InChI

InChI=1S/C30H32N2O5/c1-36-26-14-12-25(13-15-26)31-28(33)21-32-18-16-22(17-19-32)27(20-32)37-29(34)30(35,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,22,27H,16-21H2,1H3,(H,31,33)