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

Systemtic Name: [1-[(E)-4-(4-methylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[(E)-4-(4-methylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[(E)-4-(4-methyl-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[(E)-4-(4-methylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: keto-[[1-[(E)-4-(4-methylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl]ammonium dibromide Formula: C16H19Br2N3O MolecularWeight: 429.14956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC=CCN2C=CC(=C[NH+]=O)C=C2.[Br-].[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C/C=C/CN2C=CC(=C[NH+]=O)C=C2.[Br-].[Br-]

InChI

InChI=1S/C16H18N3O.2BrH/c1-15-4-10-18(11-5-15)8-2-3-9-19-12-6-16(7-13-19)14-17-20;;/h2-7,10-14H,8-9H2,1H3;2*1H/q+1;;/p-1/b3-2+;;