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

Systemtic Name: 3-azanyl-N-[1-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-amino-N-[1-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-amino-N-[1-(1-oxido-4-pyridin-1-iumyl)ethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-amino-N-[1-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-amino-N-[1-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-phenyl-cinchoninamide Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O2/c1-15(16-11-13-27(29)14-12-16)25-23(28)20-18-9-5-6-10-19(18)26-22(21(20)24)17-7-3-2-4-8-17/h2-15H,24H2,1H3,(H,25,28)