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

Systemtic Name: [1-[(E)-4-(4-carboxypyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[(E)-4-(4-carboxypyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[(E)-4-(4-carboxy-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[(E)-4-(4-carboxypyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[(E)-4-(4-carboxypyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C16H17Br2N3O3 MolecularWeight: 459.13248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3.2BrH/c20-16(21)15-5-11-19(12-6-15)8-2-1-7-18-9-3-14(4-10-18)13-17-22;;/h1-6,9-13H,7-8H2;2*1H/b2-1+;;