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

Systemtic Name: 3-methoxy-N-[1-(1-oxidanidylpyridin-1-ium-4-yl)propyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-methoxy-N-[1-(1-oxidopyridin-1-ium-4-yl)propyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-methoxy-N-[1-(1-oxido-4-pyridin-1-iumyl)propyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-methoxy-N-[1-(1-oxidopyridin-1-ium-4-yl)propyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-methoxy-N-[1-(1-oxidopyridin-1-ium-4-yl)propyl]-2-phenyl-cinchoninamide Formula: C25H23N3O3 MolecularWeight: 413.46842

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3/c1-3-20(17-13-15-28(30)16-14-17)27-25(29)22-19-11-7-8-12-21(19)26-23(24(22)31-2)18-9-5-4-6-10-18/h4-16,20H,3H2,1-2H3,(H,27,29)