2-(azepan-1-ium-1-yl)-N-[(Z)-(3-bromanyl-4-fluoranyl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(3-bromanyl-4-fluoranyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(3-bromo-4-fluoro-phenyl)methyleneamino]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(3-bromo-4-fluoro-benzylidene)amino]acetamide Formula: C15H20BrFN3O+ MolecularWeight: 357.241203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NN=CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N/N=C\C2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C15H19BrFN3O/c16-13-9-12(5-6-14(13)17)10-18-19-15(21)11-20-7-3-1-2-4-8-20/h5-6,9-10H,1-4,7-8,11H2,(H,19,21)/p+1/b18-10-