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

Systemtic Name: 3-methyl-N-[1-(1-oxidanidylpyridin-1-ium-3-yl)propyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-methyl-N-[1-(1-oxidopyridin-1-ium-3-yl)propyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-methyl-N-[1-(1-oxido-3-pyridin-1-iumyl)propyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-methyl-N-[1-(1-oxidopyridin-1-ium-3-yl)propyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-methyl-N-[1-(1-oxidopyridin-1-ium-3-yl)propyl]-2-phenyl-cinchoninamide Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2/c1-3-21(19-12-9-15-28(30)16-19)27-25(29)23-17(2)24(18-10-5-4-6-11-18)26-22-14-8-7-13-20(22)23/h4-16,21H,3H2,1-2H3,(H,27,29)