4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane

Systemtic Name: 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane Openeye Name: 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane IUPAC Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)-1-aza-4-azoniabicyclo[2.2.2]octane Formula: C15H22BrN2O2+ MolecularWeight: 342.25138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[N+]23CCN(CC2)CC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[N+]23CCN(CC2)CC3)Br)OC

InChI

InChI=1S/C15H22BrN2O2/c1-19-14-9-12(13(16)10-15(14)20-2)11-18-6-3-17(4-7-18)5-8-18/h9-10H,3-8,11H2,1-2H3/q+1