3-[4-[(2-fluorophenyl)methyl]-3-oxidanylidene-2H-quinoxalin-4-ium-2-yl]propanoic acid

Systemtic Name: 3-[4-[(2-fluorophenyl)methyl]-3-oxidanylidene-2H-quinoxalin-4-ium-2-yl]propanoic acid Openeye Name: 3-[4-[(2-fluorophenyl)methyl]-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid CAS Name: 3-[4-[(2-fluorophenyl)methyl]-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid IUPAC Name: 3-[4-[(2-fluorophenyl)methyl]-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid Traditional Name: 3-[4-(2-fluorobenzyl)-3-keto-2H-quinoxalin-4-ium-2-yl]propionic acid Formula: C18H16FN2O3+ MolecularWeight: 327.329643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=C3C=CC=CC3=NC(C2=O)CCC(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=C3C=CC=CC3=NC(C2=O)CCC(=O)O)F

InChI

InChI=1S/C18H15FN2O3/c19-13-6-2-1-5-12(13)11-21-16-8-4-3-7-14(16)20-15(18(21)24)9-10-17(22)23/h1-8,15H,9-11H2/p+1