[azanyl(pyridin-2-yl)methylidene]-[2-(4-bromanyl-3,5-dimethyl-phenoxy)ethanoyloxy]azanium

Systemtic Name: [azanyl(pyridin-2-yl)methylidene]-[2-(4-bromanyl-3,5-dimethyl-phenoxy)ethanoyloxy]azanium Openeye Name: [amino(2-pyridyl)methylene]-[2-(4-bromo-3,5-dimethyl-phenoxy)acetyl]oxy-ammonium CAS Name: [amino(2-pyridinyl)methylidene]-[2-(4-bromo-3,5-dimethylphenoxy)-1-oxoethoxy]ammonium IUPAC Name: [amino(pyridin-2-yl)methylidene]-[2-(4-bromo-3,5-dimethylphenoxy)acetyl]oxyazanium Traditional Name: [amino(2-pyridyl)methylene]-[2-(4-bromo-3,5-dimethyl-phenoxy)acetyl]oxy-ammonium Formula: C16H17BrN3O3+ MolecularWeight: 379.22848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCC(=O)O[NH+]=C(C2=CC=CC=N2)N

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCC(=O)O[NH+]=C(C2=CC=CC=N2)N

InChI

InChI=1S/C16H16BrN3O3/c1-10-7-12(8-11(2)15(10)17)22-9-14(21)23-20-16(18)13-5-3-4-6-19-13/h3-8H,9H2,1-2H3,(H2,18,20)/p+1