(2S)-N-(5-azanyl-2-fluoranyl-phenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-azanyl-2-fluoranyl-phenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-amino-2-fluoro-phenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(5-amino-2-fluorophenyl)-2-(4-hydroxy-1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(5-amino-2-fluorophenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(5-amino-2-fluoro-phenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propionamide Formula: C14H21FN3O2+ MolecularWeight: 282.333843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)N)F)[NH+]2CCC(CC2)O

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)N)F)[NH+]2CCC(CC2)O

InChI

InChI=1S/C14H20FN3O2/c1-9(18-6-4-11(19)5-7-18)14(20)17-13-8-10(16)2-3-12(13)15/h2-3,8-9,11,19H,4-7,16H2,1H3,(H,17,20)/p+1/t9-/m0/s1