6-bromanyl-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[(2R)-1-(1-piperidin-1-iumyl)propan-2-yl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]-2-(2-pyridyl)cinchoninamide Formula: C23H26BrN4O+ MolecularWeight: 454.38274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4

InChI

InChI=1S/C23H25BrN4O/c1-16(15-28-11-5-2-6-12-28)26-23(29)19-14-22(21-7-3-4-10-25-21)27-20-9-8-17(24)13-18(19)20/h3-4,7-10,13-14,16H,2,5-6,11-12,15H2,1H3,(H,26,29)/p+1/t16-/m1/s1