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

Systemtic Name: oxidanylidene-[[1-[(E)-4-pyridin-1-ium-1-ylbut-2-enyl]pyridin-4-ylidene]methyl]azanium dibromide Openeye Name: oxo-[[1-[(E)-4-pyridin-1-ium-1-ylbut-2-enyl]-4-pyridylidene]methyl]ammonium dibromide CAS Name: oxo-[[1-[(E)-4-(1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl]ammonium dibromide IUPAC Name: oxo-[[1-[(E)-4-pyridin-1-ium-1-ylbut-2-enyl]pyridin-4-ylidene]methyl]azanium dibromide Traditional Name: keto-[[1-[(E)-4-pyridin-1-ium-1-ylbut-2-enyl]-4-pyridylidene]methyl]ammonium dibromide Formula: C15H17Br2N3O MolecularWeight: 415.12298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N3O.2BrH/c19-16-14-15-6-12-18(13-7-15)11-5-4-10-17-8-2-1-3-9-17;;/h1-9,12-14H,10-11H2;2*1H/q+1;;/p-1/b5-4+;;