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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-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=NC=C4)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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