1-phenyl-2-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethane-1,2-dione bromide

Systemtic Name: 1-phenyl-2-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethane-1,2-dione bromide Openeye Name: 1-phenyl-2-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethane-1,2-dione bromide CAS Name: 1-phenyl-2-[4-(1-pyridin-1-iumylmethyl)phenyl]ethane-1,2-dione bromide IUPAC Name: 1-phenyl-2-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethane-1,2-dione bromide Traditional Name: 1-phenyl-2-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethane-1,2-dione bromide Formula: C20H16BrNO2 MolecularWeight: 382.25054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H16NO2.BrH/c22-19(17-7-3-1-4-8-17)20(23)18-11-9-16(10-12-18)15-21-13-5-2-6-14-21;/h1-14H,15H2;1H/q+1;/p-1