N-[2-[[(3S)-3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(3-fluoro-4-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-6-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]quinolin-6-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(3-fluoro-4-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide Formula: C25H27FN3O3+ MolecularWeight: 436.498583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCCC(C3)C(=O)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C25H26FN3O3/c1-16(30)27-20-8-9-23-17(12-20)5-7-21(28-23)15-29-11-3-4-19(14-29)25(31)18-6-10-24(32-2)22(26)13-18/h5-10,12-13,19H,3-4,11,14-15H2,1-2H3,(H,27,30)/p+1/t19-/m0/s1