1-[[4-[(3-carboxypyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylic acid dibromide

Systemtic Name: 1-[[4-[(3-carboxypyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylic acid dibromide Openeye Name: 1-[[4-[(3-carboxypyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylic acid dibromide CAS Name: 1-[[4-[(3-carboxy-1-pyridin-1-iumyl)methyl]phenyl]methyl]-3-pyridin-1-iumcarboxylic acid dibromide IUPAC Name: 1-[[4-[(3-carboxypyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylic acid dibromide Traditional Name: 1-[4-[(3-carboxypyridin-1-ium-1-yl)methyl]benzyl]pyridin-1-ium-3-carboxylic acid dibromide Formula: C20H18Br2N2O4 MolecularWeight: 510.17592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3)C(=O)O)C(=O)O.[Br-].[Br-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3)C(=O)O)C(=O)O.[Br-].[Br-]

InChI

InChI=1S/C20H16N2O4.2BrH/c23-19(24)17-3-1-9-21(13-17)11-15-5-7-16(8-6-15)12-22-10-2-4-18(14-22)20(25)26;;/h1-10,13-14H,11-12H2;2*1H