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

Systemtic Name: [1-[(E)-4-(4-ethanoylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[(E)-4-(4-acetylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[(E)-4-(4-acetyl-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[(E)-4-(4-acetylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[(E)-4-(4-acetylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C17H19Br2N3O2 MolecularWeight: 457.15966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N3O2.2BrH/c1-15(21)17-6-12-20(13-7-17)9-3-2-8-19-10-4-16(5-11-19)14-18-22;;/h2-7,10-14H,8-9H2,1H3;2*1H/q+1;;/p-1/b3-2+;;