3-[(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octane-4-carboxylic acid

Systemtic Name: 3-[(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octane-4-carboxylic acid Openeye Name: 3-[(4-bromophenyl)methyl]quinuclidine-4-carboxylic acid CAS Name: 3-[(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octane-4-carboxylic acid IUPAC Name: 3-[(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octane-4-carboxylic acid Traditional Name: 3-(4-bromobenzyl)quinuclidine-4-carboxylic acid Formula: C15H18BrNO2 MolecularWeight: 324.21292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1(C(C2)CC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CN2CCC1(C(C2)CC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C15H18BrNO2/c16-13-3-1-11(2-4-13)9-12-10-17-7-5-15(12,6-8-17)14(18)19/h1-4,12H,5-10H2,(H,18,19)