(2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C15H21BrFN2O+ MolecularWeight: 344.242443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrFN2O/c1-10-4-3-7-19(9-10)11(2)15(20)18-14-6-5-12(16)8-13(14)17/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,20)/p+1/t10-,11-/m0/s1