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

Systemtic Name: 1-[[4-[(3-carboxypyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[[4-[(3-carboxypyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[[4-[(3-carboxy-1-pyridin-1-iumyl)methyl]phenyl]methyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[[4-[(3-carboxypyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[4-[(3-carboxypyridin-1-ium-1-yl)methyl]benzyl]pyridin-1-ium-3-carboxylic acid Formula: C20H18N2O4+2 MolecularWeight: 350.36792

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O4/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/p+2