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

Systemtic Name: 3-[4-[(4-fluorophenyl)methyl]-3-oxidanylidene-2H-quinoxalin-4-ium-2-yl]propanoic acid Openeye Name: 3-[4-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid CAS Name: 3-[4-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid IUPAC Name: 3-[4-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid Traditional Name: 3-[4-(4-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=CC2=NC(C(=O)[N+](=C2C=C1)CC3=CC=C(C=C3)F)CCC(=O)O

Isomeric SMILES

C1=CC2=NC(C(=O)[N+](=C2C=C1)CC3=CC=C(C=C3)F)CCC(=O)O

InChI

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