N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromanyl-furan-2-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromanyl-furan-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 5-bromo-N-quinuclidin-3-yl-furan-2-carboxamide; 4-methylbenzenesulfonic acid CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-2-furancarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromofuran-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 5-bromo-N-quinuclidin-3-yl-2-furamide; tosylic acid Formula: C19H23BrN2O5S MolecularWeight: 471.36532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C12H15BrN2O2.C7H8O3S/c13-11-2-1-10(17-11)12(16)14-9-7-15-5-3-8(9)4-6-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,8-9H,3-7H2,(H,14,16);2-5H,1H3,(H,8,9,10)