N-(3-azanyl-4-fluoranyl-phenyl)-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-azanyl-4-fluoranyl-phenyl)-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-fluoro-phenyl)-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-amino-4-fluorophenyl)-2-[(2S)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-fluorophenyl)-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-amino-4-fluoro-phenyl)-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetamide Formula: C15H23FN3O2+ MolecularWeight: 296.360423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CC(=O)NC2=CC(=C(C=C2)F)N

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCO)CC(=O)NC2=CC(=C(C=C2)F)N

InChI

InChI=1S/C15H22FN3O2/c16-13-5-4-11(9-14(13)17)18-15(21)10-19-7-2-1-3-12(19)6-8-20/h4-5,9,12,20H,1-3,6-8,10,17H2,(H,18,21)/p+1/t12-/m0/s1