N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxidanidylpyrrolidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxidanidylpyrrolidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxido-1-pyrrolidin-1-iumyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenyl-cinchoninamide Formula: C29H28FN3O2 MolecularWeight: 469.549923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)F)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C[N+]5(CCCC5)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)F)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C[N+]5(CCCC5)[O-]

InChI

InChI=1S/C29H28FN3O2/c1-20(22-12-9-13-23(30)18-22)31-29(34)27-24-14-5-6-15-26(24)32-28(21-10-3-2-4-11-21)25(27)19-33(35)16-7-8-17-33/h2-6,9-15,18,20H,7-8,16-17,19H2,1H3,(H,31,34)