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

Systemtic Name: [1-[(E)-4-isoquinolin-2-ium-2-ylbut-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[(E)-4-isoquinolin-2-ium-2-ylbut-2-enyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[(E)-4-(2-isoquinolin-2-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[(E)-4-isoquinolin-2-ium-2-ylbut-2-enyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[(E)-4-isoquinolin-2-ium-2-ylbut-2-enyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C19H19Br2N3O MolecularWeight: 465.18166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC=CCN3C=CC(=C[NH+]=O)C=C3.[Br-].[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C/C=C/CN3C=CC(=C[NH+]=O)C=C3.[Br-].[Br-]

InChI

InChI=1S/C19H18N3O.2BrH/c23-20-15-17-7-12-21(13-8-17)10-3-4-11-22-14-9-18-5-1-2-6-19(18)16-22;;/h1-9,12-16H,10-11H2;2*1H/q+1;;/p-1/b4-3+;;