2-oxidanylidene-1-(phenylmethyl)-N-(2-phenylphenyl)-1-azoniabicyclo[2.2.2]octane-3-carboxamide bromide

Systemtic Name: 2-oxidanylidene-1-(phenylmethyl)-N-(2-phenylphenyl)-1-azoniabicyclo[2.2.2]octane-3-carboxamide bromide Openeye Name: 1-benzyl-2-oxo-N-(2-phenylphenyl)quinuclidin-1-ium-3-carboxamide bromide CAS Name: 2-oxo-1-(phenylmethyl)-N-(2-phenylphenyl)-1-azoniabicyclo[2.2.2]octane-3-carboxamide bromide IUPAC Name: 1-benzyl-2-oxo-N-(2-phenylphenyl)-1-azoniabicyclo[2.2.2]octane-3-carboxamide bromide Traditional Name: 1-benzyl-2-keto-N-(2-phenylphenyl)quinuclidin-1-ium-3-carboxamide bromide Formula: C27H27BrN2O2 MolecularWeight: 491.41948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2=O)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)CC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2=O)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)CC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H26N2O2.BrH/c30-26(28-24-14-8-7-13-23(24)21-11-5-2-6-12-21)25-22-15-17-29(18-16-22,27(25)31)19-20-9-3-1-4-10-20;/h1-14,22,25H,15-19H2;1H