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

Systemtic Name: 3-methanoyl-1-(phenylmethyl)pyridin-1-ium-2-carboxylic acid Openeye Name: 1-benzyl-3-formyl-pyridin-1-ium-2-carboxylic acid CAS Name: 3-formyl-1-(phenylmethyl)-2-pyridin-1-iumcarboxylic acid IUPAC Name: 1-benzyl-3-formylpyridin-1-ium-2-carboxylic acid Traditional Name: 1-benzyl-3-formyl-pyridin-1-ium-2-carboxylic acid Formula: C14H12NO3+ MolecularWeight: 242.24998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO3/c16-10-12-7-4-8-15(13(12)14(17)18)9-11-5-2-1-3-6-11/h1-8,10H,9H2/p+1