2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methoxy-2-oxidanyl-phenyl)ethanone bromide

Systemtic Name: 2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methoxy-2-oxidanyl-phenyl)ethanone bromide Openeye Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-hydroxy-4-methoxy-phenyl)ethanone bromide CAS Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-hydroxy-4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-hydroxy-4-methoxyphenyl)ethanone bromide Traditional Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-hydroxy-4-methoxy-phenyl)ethanone bromide Formula: C11H13BrN4O3 MolecularWeight: 329.14992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CN2C=[N+](C=N2)N)O.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CN2C=[N+](C=N2)N)O.[Br-]

InChI

InChI=1S/C11H12N4O3.BrH/c1-18-8-2-3-9(10(16)4-8)11(17)5-15-7-14(12)6-13-15;/h2-4,6-7H,5,12H2,1H3;1H