N-[[(3R)-1-[(8-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(8-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[(8-fluoro-2-quinolinyl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[(8-fluoroquinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C21H23FN3OS+ MolecularWeight: 384.490223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=C(C=CC=C3F)C=C2)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=C(C=CC=C3F)C=C2)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22FN3OS/c22-18-6-1-5-16-8-9-17(24-20(16)18)14-25-10-2-4-15(13-25)12-23-21(26)19-7-3-11-27-19/h1,3,5-9,11,15H,2,4,10,12-14H2,(H,23,26)/p+1/t15-/m1/s1