2-(azepan-1-ium-1-yl)-N-[(Z)-(5-bromanyl-2,4-dimethoxy-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(5-bromanyl-2,4-dimethoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(5-bromo-2,4-dimethoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(5-bromo-2,4-dimethoxy-benzylidene)amino]acetamide Formula: C17H25BrN3O3+ MolecularWeight: 399.3027

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NNC(=O)C[NH+]2CCCCCC2)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N\NC(=O)C[NH+]2CCCCCC2)Br)OC

InChI

InChI=1S/C17H24BrN3O3/c1-23-15-10-16(24-2)14(18)9-13(15)11-19-20-17(22)12-21-7-5-3-4-6-8-21/h9-11H,3-8,12H2,1-2H3,(H,20,22)/p+1/b19-11-