3-ethanoylquinolin-1-ium-5-carboxylic acid

Systemtic Name: 3-ethanoylquinolin-1-ium-5-carboxylic acid Openeye Name: 3-acetylquinolin-1-ium-5-carboxylic acid CAS Name: 3-acetyl-5-quinolin-1-iumcarboxylic acid IUPAC Name: 3-acetylquinolin-1-ium-5-carboxylic acid Traditional Name: 3-acetylquinolin-1-ium-5-carboxylic acid Formula: C12H10NO3+ MolecularWeight: 216.2127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=CC=C2[NH+]=C1)C(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=CC=C2[NH+]=C1)C(=O)O

InChI

InChI=1S/C12H9NO3/c1-7(14)8-5-10-9(12(15)16)3-2-4-11(10)13-6-8/h2-6H,1H3,(H,15,16)/p+1