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

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(3-bromanyl-4-fluoranyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(3-bromo-4-fluoro-phenyl)methyleneamino]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(3-bromo-4-fluoro-benzylidene)amino]acetamide Formula: C16H22BrFN3O+ MolecularWeight: 371.267783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NN=CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)N/N=C\C2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C16H21BrFN3O/c17-14-10-13(6-7-15(14)18)11-19-20-16(22)12-21-8-4-2-1-3-5-9-21/h6-7,10-11H,1-5,8-9,12H2,(H,20,22)/p+1/b19-11-