N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-(4-fluorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-(4-fluorophenyl)quinoline-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-(4-fluorophenyl)quinoline-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-2-(4-fluorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-2-(4-fluorophenyl)quinoline-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-(4-fluorophenyl)cinchoninamide Formula: C23H24FN4O2+ MolecularWeight: 407.460663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)CC(=O)N

InChI

InChI=1S/C23H23FN4O2/c24-16-7-5-15(6-8-16)21-13-19(18-3-1-2-4-20(18)27-21)23(30)26-17-9-11-28(12-10-17)14-22(25)29/h1-8,13,17H,9-12,14H2,(H2,25,29)(H,26,30)/p+1