N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-pyridyl)cinchoninamide Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O/c32-27(29-21-13-16-31(17-14-21)19-20-8-2-1-3-9-20)23-18-26(25-12-6-7-15-28-25)30-24-11-5-4-10-22(23)24/h1-12,15,18,21H,13-14,16-17,19H2,(H,29,32)/p+1