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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)NC2=C(C=C(C=C2)F)N

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)NC2=C(C=C(C=C2)F)N

InChI

InChI=1S/C15H22FN3O/c16-12-5-6-14(13(17)11-12)18-15(20)7-10-19-8-3-1-2-4-9-19/h5-6,11H,1-4,7-10,17H2,(H,18,20)/p+1