N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromanyl-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromanyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[(E)-quinuclidin-3-ylideneamino]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[(E)-quinuclidin-3-ylideneamino]-2-(2-thienyl)cinchoninamide Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=NNC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CS5)C2

Isomeric SMILES

C1CN2CCC1/C(=N\NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CS5)/C2

InChI

InChI=1S/C21H19BrN4OS/c22-14-3-4-17-15(10-14)16(11-18(23-17)20-2-1-9-28-20)21(27)25-24-19-12-26-7-5-13(19)6-8-26/h1-4,9-11,13H,5-8,12H2,(H,25,27)/b24-19-