3-oxidanyl-1-(phenylmethyl)pyridin-1-ium-2-carboxylic acid

Systemtic Name: 3-oxidanyl-1-(phenylmethyl)pyridin-1-ium-2-carboxylic acid Openeye Name: 1-benzyl-3-hydroxy-pyridin-1-ium-2-carboxylic acid CAS Name: 3-hydroxy-1-(phenylmethyl)-2-pyridin-1-iumcarboxylic acid IUPAC Name: 1-benzyl-3-hydroxypyridin-1-ium-2-carboxylic acid Traditional Name: 1-benzyl-3-hydroxy-pyridin-1-ium-2-carboxylic acid Formula: C13H12NO3+ MolecularWeight: 230.23928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2C(=O)O)O

InChI

InChI=1S/C13H11NO3/c15-11-7-4-8-14(12(11)13(16)17)9-10-5-2-1-3-6-10/h1-8H,9H2,(H-,15,16,17)/p+1