N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-phenyl-quinoline-4-carboxamide hydrochloride

Systemtic Name: N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-phenyl-quinoline-4-carboxamide hydrochloride Openeye Name: 2-phenyl-N-[(E)-quinuclidin-3-ylideneamino]quinoline-4-carboxamide hydrochloride CAS Name: N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-phenyl-4-quinolinecarboxamide hydrochloride IUPAC Name: N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-phenylquinoline-4-carboxamide hydrochloride Traditional Name: 2-phenyl-N-[(E)-quinuclidin-3-ylideneamino]cinchoninamide hydrochloride Formula: C23H23ClN4O MolecularWeight: 406.90792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C2.Cl

Isomeric SMILES

C1CN2CCC1/C(=N\NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)/C2.Cl

InChI

InChI=1S/C23H22N4O.ClH/c28-23(26-25-22-15-27-12-10-17(22)11-13-27)19-14-21(16-6-2-1-3-7-16)24-20-9-5-4-8-18(19)20;/h1-9,14,17H,10-13,15H2,(H,26,28);1H/b25-22-;