N-(2-azanyl-4-fluoranyl-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-azanyl-4-fluoranyl-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-amino-4-fluoro-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(2-amino-4-fluorophenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-amino-4-fluorophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-amino-4-fluoro-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C15H23FN3O+ MolecularWeight: 280.361023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=C(C=C(C=C2)F)N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=C(C=C(C=C2)F)N)C

InChI

InChI=1S/C15H22FN3O/c1-10-5-11(2)8-19(7-10)9-15(20)18-14-4-3-12(16)6-13(14)17/h3-4,6,10-11H,5,7-9,17H2,1-2H3,(H,18,20)/p+1/t10-,11-/m0/s1