N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(furan-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(furan-2-yl)quinoline-4-carboxamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(2-furyl)quinoline-4-carboxamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-(2-furanyl)-4-quinolinecarboxamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-(furan-2-yl)quinoline-4-carboxamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(2-furyl)cinchoninamide Formula: C26H25FN3O3+ MolecularWeight: 446.493403

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN3O3/c27-19-9-7-18(8-10-19)24(30-11-14-32-15-12-30)17-28-26(31)21-16-23(25-6-3-13-33-25)29-22-5-2-1-4-20(21)22/h1-10,13,16,24H,11-12,14-15,17H2,(H,28,31)/p+1/t24-/m1/s1