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

Systemtic Name: oxidanylidene-[[1-[(E)-4-pyridazin-1-ium-1-ylbut-2-enyl]pyridin-4-ylidene]methyl]azanium bromide Openeye Name: oxo-[[1-[(E)-4-pyridazin-1-ium-1-ylbut-2-enyl]-4-pyridylidene]methyl]ammonium bromide CAS Name: oxo-[[1-[(E)-4-(1-pyridazin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl]ammonium bromide IUPAC Name: oxo-[[1-[(E)-4-pyridazin-1-ium-1-ylbut-2-enyl]pyridin-4-ylidene]methyl]azanium bromide Traditional Name: keto-[[1-[(E)-4-pyridazin-1-ium-1-ylbut-2-enyl]-4-pyridylidene]methyl]ammonium bromide Formula: C14H16BrN4O+ MolecularWeight: 336.20704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N4O.BrH/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;1H/q+1;/b4-3+;