2-fluoranyl-2-(methylamino)-1-oxidanylidene-4-phenyl-isoquinolin-2-ium-3-carboxylic acid

Systemtic Name: 2-fluoranyl-2-(methylamino)-1-oxidanylidene-4-phenyl-isoquinolin-2-ium-3-carboxylic acid Openeye Name: 2-fluoro-2-(methylamino)-1-oxo-4-phenyl-isoquinolin-2-ium-3-carboxylic acid CAS Name: 2-fluoro-2-(methylamino)-1-oxo-4-phenyl-3-isoquinolin-2-iumcarboxylic acid IUPAC Name: 2-fluoro-2-(methylamino)-1-oxo-4-phenylisoquinolin-2-ium-3-carboxylic acid Traditional Name: 2-fluoro-1-keto-2-(methylamino)-4-phenyl-isoquinolin-2-ium-3-carboxylic acid Formula: C17H14FN2O3+ MolecularWeight: 313.303063

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+]1(C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)O)F

Isomeric SMILES

CN[N+]1(C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)O)F

InChI

InChI=1S/C17H13FN2O3/c1-19-20(18)15(17(22)23)14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)16(20)21/h2-10,19H,1H3/p+1