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

Systemtic Name: [1-[(E)-4-(4-cyanopyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[(E)-4-(4-cyanopyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[(E)-4-(4-cyano-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[(E)-4-(4-cyanopyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[(E)-4-(4-cyanopyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C16H16Br2N4O MolecularWeight: 440.13244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=CC1=C[NH+]=O)CC=CC[N+]2=CC=C(C=C2)C#N.[Br-].[Br-]

Isomeric SMILES

C1=CN(C=CC1=C[NH+]=O)C/C=C/C[N+]2=CC=C(C=C2)C#N.[Br-].[Br-]

InChI

InChI=1S/C16H15N4O.2BrH/c17-13-15-3-9-19(10-4-15)7-1-2-8-20-11-5-16(6-12-20)14-18-21;;/h1-6,9-12,14H,7-8H2;2*1H/q+1;;/p-1/b2-1+;;