N-[2-[[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-5-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-5-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-5-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]quinolin-5-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide Formula: C25H27FN3O3+ MolecularWeight: 436.498583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C=CC(=N2)C[NH+]3CCCC(C3)C(=O)C4=C(C=CC(=C4)F)OC

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1C=CC(=N2)C[NH+]3CCC[C@@H](C3)C(=O)C4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C25H26FN3O3/c1-16(30)27-22-6-3-7-23-20(22)10-9-19(28-23)15-29-12-4-5-17(14-29)25(31)21-13-18(26)8-11-24(21)32-2/h3,6-11,13,17H,4-5,12,14-15H2,1-2H3,(H,27,30)/p+1/t17-/m0/s1