1-(phenylmethyl)pyridin-1-ium-3,5-dicarboxylic acid

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium-3,5-dicarboxylic acid Openeye Name: 1-benzylpyridin-1-ium-3,5-dicarboxylic acid CAS Name: 1-(phenylmethyl)pyridin-1-ium-3,5-dicarboxylic acid IUPAC Name: 1-benzylpyridin-1-ium-3,5-dicarboxylic acid Traditional Name: 1-benzylpyridin-1-ium-3,5-dicarboxylic acid Formula: C14H12NO4+ MolecularWeight: 258.24938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4/c16-13(17)11-6-12(14(18)19)9-15(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H-,16,17,18,19)/p+1