1-phenacylpyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-phenacylpyridin-1-ium-3-carboxylic acid Openeye Name: 1-phenacylpyridin-1-ium-3-carboxylic acid CAS Name: 1-phenacyl-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-phenacylpyridin-1-ium-3-carboxylic acid Traditional Name: 1-phenacylpyridin-1-ium-3-carboxylic acid Formula: C14H12NO3+ MolecularWeight: 242.24998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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