oxidanylidene-[[1-[(E)-4-pyridazin-1-ium-1-ylbut-2-enyl]pyridin-4-ylidene]methyl]azanium dibromide

Systemtic Name: oxidanylidene-[[1-[(E)-4-pyridazin-1-ium-1-ylbut-2-enyl]pyridin-4-ylidene]methyl]azanium dibromide Openeye Name: oxo-[[1-[(E)-4-pyridazin-1-ium-1-ylbut-2-enyl]-4-pyridylidene]methyl]ammonium dibromide CAS Name: oxo-[[1-[(E)-4-(1-pyridazin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl]ammonium dibromide IUPAC Name: oxo-[[1-[(E)-4-pyridazin-1-ium-1-ylbut-2-enyl]pyridin-4-ylidene]methyl]azanium dibromide Traditional Name: keto-[[1-[(E)-4-pyridazin-1-ium-1-ylbut-2-enyl]-4-pyridylidene]methyl]ammonium dibromide Formula: C14H16Br2N4O MolecularWeight: 416.11104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](N=C1)CC=CCN2C=CC(=C[NH+]=O)C=C2.[Br-].[Br-]

Isomeric SMILES

C1=CC=[N+](N=C1)C/C=C/CN2C=CC(=C[NH+]=O)C=C2.[Br-].[Br-]

InChI

InChI=1S/C14H15N4O.2BrH/c19-16-13-14-5-11-17(12-6-14)8-3-4-10-18-9-2-1-7-15-18;;/h1-7,9,11-13H,8,10H2;2*1H/q+1;;/p-1/b4-3+;;