1-[(Z)-4-(3-oxidanylpyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-3-ol dibromide

Systemtic Name: 1-[(Z)-4-(3-oxidanylpyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-3-ol dibromide Openeye Name: 1-[(Z)-4-(3-hydroxypyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-3-ol dibromide CAS Name: 1-[(Z)-4-(3-hydroxy-1-pyridin-1-iumyl)but-2-enyl]-3-pyridin-1-iumol dibromide IUPAC Name: 1-[(Z)-4-(3-hydroxypyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-3-ol dibromide Traditional Name: 1-[(Z)-4-(3-hydroxypyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-3-ol dibromide Formula: C14H16Br2N2O2 MolecularWeight: 404.09704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2.2BrH/c17-13-5-3-9-15(11-13)7-1-2-8-16-10-4-6-14(18)12-16;;/h1-6,9-12H,7-8H2;2*1H/b2-1-;;