N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-2-(2-pyridyl)cinchoninamide Formula: C25H25N4O2S+ MolecularWeight: 445.5566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)C5=CC=CS5

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)C5=CC=CS5

InChI

InChI=1S/C25H24N4O2S/c30-25(27-17-23(24-9-5-15-32-24)29-11-13-31-14-12-29)19-16-22(21-8-3-4-10-26-21)28-20-7-2-1-6-18(19)20/h1-10,15-16,23H,11-14,17H2,(H,27,30)/p+1/t23-/m1/s1