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

Systemtic Name: N-[1-(3-fluorophenyl)ethyl]-3-[(4-oxidanidylmorpholin-4-ium-4-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[1-(3-fluorophenyl)ethyl]-3-[(4-oxidomorpholin-4-ium-4-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[1-(3-fluorophenyl)ethyl]-3-[(4-oxido-4-morpholin-4-iumyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[1-(3-fluorophenyl)ethyl]-3-[(4-oxidomorpholin-4-ium-4-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[1-(3-fluorophenyl)ethyl]-3-[(4-oxidomorpholin-4-ium-4-yl)methyl]-2-phenyl-cinchoninamide Formula: C29H28FN3O3 MolecularWeight: 485.549323

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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(CCOCC5)[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(CCOCC5)[O-]

InChI

InChI=1S/C29H28FN3O3/c1-20(22-10-7-11-23(30)18-22)31-29(34)27-24-12-5-6-13-26(24)32-28(21-8-3-2-4-9-21)25(27)19-33(35)14-16-36-17-15-33/h2-13,18,20H,14-17,19H2,1H3,(H,31,34)