N-(3-azanyl-4-fluoranyl-phenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-azanyl-4-fluoranyl-phenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-fluoro-phenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(3-amino-4-fluorophenyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-fluorophenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-amino-4-fluoro-phenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C15H23FN3O+ MolecularWeight: 280.361023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(=O)NC2=CC(=C(C=C2)F)N)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CC(=O)NC2=CC(=C(C=C2)F)N)C

InChI

InChI=1S/C15H22FN3O/c1-10-4-3-5-11(2)19(10)9-15(20)18-12-6-7-13(16)14(17)8-12/h6-8,10-11H,3-5,9,17H2,1-2H3,(H,18,20)/p+1/t10-,11-/m0/s1