(3S)-1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-bromo-4-fluoro-phenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-bromo-4-fluorophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-bromo-4-fluoro-benzyl)piperidin-1-ium-3-carboxamide Formula: C13H17BrFN2O+ MolecularWeight: 316.189283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=C(C=C2)F)Br)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=C(C=C2)F)Br)C(=O)N

InChI

InChI=1S/C13H16BrFN2O/c14-11-6-9(3-4-12(11)15)7-17-5-1-2-10(8-17)13(16)18/h3-4,6,10H,1-2,5,7-8H2,(H2,16,18)/p+1/t10-/m0/s1