N-[1-(1-oxidanidylpyridin-1-ium-4-yl)propyl]-3-oxidanyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[1-(1-oxidanidylpyridin-1-ium-4-yl)propyl]-3-oxidanyl-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-hydroxy-N-[1-(1-oxidopyridin-1-ium-4-yl)propyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-hydroxy-N-[1-(1-oxido-4-pyridin-1-iumyl)propyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-hydroxy-N-[1-(1-oxidopyridin-1-ium-4-yl)propyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-hydroxy-N-[1-(1-oxidopyridin-1-ium-4-yl)propyl]-2-phenyl-cinchoninamide Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=[N+](C=C1)[O-])NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O

Isomeric SMILES

CCC(C1=CC=[N+](C=C1)[O-])NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O

InChI

InChI=1S/C24H21N3O3/c1-2-19(16-12-14-27(30)15-13-16)26-24(29)21-18-10-6-7-11-20(18)25-22(23(21)28)17-8-4-3-5-9-17/h3-15,19,28H,2H2,1H3,(H,26,29)