(2R)-2-(azepan-1-ium-1-yl)-N-(4-chloranyl-2-fluoranyl-phenyl)propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-chloranyl-2-fluoranyl-phenyl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-chloro-2-fluoro-phenyl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-(4-chloro-2-fluorophenyl)propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-chloro-2-fluoro-phenyl)propionamide Formula: C15H21ClFN2O+ MolecularWeight: 299.791443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)[NH+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)F)[NH+]2CCCCCC2

InChI

InChI=1S/C15H20ClFN2O/c1-11(19-8-4-2-3-5-9-19)15(20)18-14-7-6-12(16)10-13(14)17/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,20)/p+1/t11-/m1/s1