2-pyridin-3-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]quinoline-4-carboxamide

Systemtic Name: 2-pyridin-3-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]quinoline-4-carboxamide Openeye Name: 2-(3-pyridyl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]quinoline-4-carboxamide CAS Name: 2-(3-pyridinyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: 2-pyridin-3-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]quinoline-4-carboxamide Traditional Name: 2-(3-pyridyl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]cinchoninamide Formula: C26H26N5O+ MolecularWeight: 424.51754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C26H25N5O/c32-26(29-21-9-6-14-31(18-21)17-20-8-3-4-13-28-20)23-15-25(19-7-5-12-27-16-19)30-24-11-2-1-10-22(23)24/h1-5,7-8,10-13,15-16,21H,6,9,14,17-18H2,(H,29,32)/p+1/t21-/m0/s1