N-(5-bromanyl-2,4-dimethoxy-phenyl)carbonyl-1-azabicyclo[2.2.2]octan-3-amine oxide

Systemtic Name: N-(5-bromanyl-2,4-dimethoxy-phenyl)carbonyl-1-azabicyclo[2.2.2]octan-3-amine oxide Openeye Name: N-(5-bromo-2,4-dimethoxy-benzoyl)quinuclidin-3-amine oxide CAS Name: N-[(5-bromo-2,4-dimethoxyphenyl)-oxomethyl]-1-azabicyclo[2.2.2]octan-3-amine oxide IUPAC Name: N-(5-bromo-2,4-dimethoxybenzoyl)-1-azabicyclo[2.2.2]octan-3-amine oxide Traditional Name: N-(5-bromo-2,4-dimethoxy-benzoyl)quinuclidin-3-amine oxide Formula: C16H21BrN2O4 MolecularWeight: 385.25294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)[NH+](C2CN3CCC2CC3)[O-])Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)[NH+](C2CN3CCC2CC3)[O-])Br)OC

InChI

InChI=1S/C16H21BrN2O4/c1-22-14-8-15(23-2)12(17)7-11(14)16(20)19(21)13-9-18-5-3-10(13)4-6-18/h7-8,10,13,19H,3-6,9H2,1-2H3