(2S)-N-(3-azanyl-4-fluoranyl-phenyl)-2-(azepan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-azanyl-4-fluoranyl-phenyl)-2-(azepan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-amino-4-fluoro-phenyl)-2-(azepan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-amino-4-fluorophenyl)-2-(1-azepan-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-amino-4-fluorophenyl)-2-(azepan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-amino-4-fluoro-phenyl)-2-(azepan-1-ium-1-yl)propionamide Formula: C15H23FN3O+ MolecularWeight: 280.361023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22FN3O/c1-11(19-8-4-2-3-5-9-19)15(20)18-12-6-7-13(16)14(17)10-12/h6-7,10-11H,2-5,8-9,17H2,1H3,(H,18,20)/p+1/t11-/m0/s1