3-[1-[(8-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide

Systemtic Name: 3-[1-[(8-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide Openeye Name: 3-[1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide CAS Name: 3-[1-[(8-fluoro-2-quinolinyl)methyl]-4-piperidin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: 3-[1-[(8-fluoroquinolin-2-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: 3-[1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propionamide Formula: C25H29FN3O2+ MolecularWeight: 422.515063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCC2CC[NH+](CC2)CC3=NC4=C(C=CC=C4F)C=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCC2CC[NH+](CC2)CC3=NC4=C(C=CC=C4F)C=C3

InChI

InChI=1S/C25H28FN3O2/c1-31-22-6-3-5-20(16-22)27-24(30)11-8-18-12-14-29(15-13-18)17-21-10-9-19-4-2-7-23(26)25(19)28-21/h2-7,9-10,16,18H,8,11-15,17H2,1H3,(H,27,30)/p+1