N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-methyl-quinoline-4-carboxamide Openeye Name: 2-methyl-N-[(Z)-quinuclidin-1-ium-3-ylideneamino]quinoline-4-carboxamide CAS Name: N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-methylquinoline-4-carboxamide Traditional Name: 2-methyl-N-[(Z)-quinuclidin-1-ium-3-ylideneamino]cinchoninamide Formula: C18H21N4O+ MolecularWeight: 309.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C3C[NH+]4CCC3CC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N/N=C/3\C[NH+]4CCC3CC4

InChI

InChI=1S/C18H20N4O/c1-12-10-15(14-4-2-3-5-16(14)19-12)18(23)21-20-17-11-22-8-6-13(17)7-9-22/h2-5,10,13H,6-9,11H2,1H3,(H,21,23)/p+1/b20-17+