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

Systemtic Name: [1-[(E)-4-(4-tert-butylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[(E)-4-(4-tert-butylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[(E)-4-(4-tert-butyl-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[(E)-4-(4-tert-butylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[(E)-4-(4-tert-butylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C19H25Br2N3O MolecularWeight: 471.2293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N3O.2BrH/c1-19(2,3)18-8-14-22(15-9-18)11-5-4-10-21-12-6-17(7-13-21)16-20-23;;/h4-9,12-16H,10-11H2,1-3H3;2*1H/q+1;;/p-1/b5-4+;;