(2R)-2-(azocan-1-ium-1-yl)-N-(4-bromanyl-2-fluoranyl-phenyl)propanamide

Systemtic Name: (2R)-2-(azocan-1-ium-1-yl)-N-(4-bromanyl-2-fluoranyl-phenyl)propanamide Openeye Name: (2R)-2-(azocan-1-ium-1-yl)-N-(4-bromo-2-fluoro-phenyl)propanamide CAS Name: (2R)-2-(1-azocan-1-iumyl)-N-(4-bromo-2-fluorophenyl)propanamide IUPAC Name: (2R)-2-(azocan-1-ium-1-yl)-N-(4-bromo-2-fluorophenyl)propanamide Traditional Name: (2R)-2-(azocan-1-ium-1-yl)-N-(4-bromo-2-fluoro-phenyl)propionamide Formula: C16H23BrFN2O+ MolecularWeight: 358.269023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)[NH+]2CCCCCCC2

InChI

InChI=1S/C16H22BrFN2O/c1-12(20-9-5-3-2-4-6-10-20)16(21)19-15-8-7-13(17)11-14(15)18/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,21)/p+1/t12-/m1/s1