N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-2-(4-pyridyl)cinchoninamide Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C27H26N4O2/c32-27(29-18-21-5-1-2-6-22(21)19-31-13-15-33-16-14-31)24-17-26(20-9-11-28-12-10-20)30-25-8-4-3-7-23(24)25/h1-12,17H,13-16,18-19H2,(H,29,32)/p+1