3-(4-ethyl-3-oxidanylidene-2H-quinoxalin-4-ium-2-yl)propanoic acid

Systemtic Name: 3-(4-ethyl-3-oxidanylidene-2H-quinoxalin-4-ium-2-yl)propanoic acid Openeye Name: 3-(4-ethyl-3-oxo-2H-quinoxalin-4-ium-2-yl)propanoic acid CAS Name: 3-(4-ethyl-3-oxo-2H-quinoxalin-4-ium-2-yl)propanoic acid IUPAC Name: 3-(4-ethyl-3-oxo-2H-quinoxalin-4-ium-2-yl)propanoic acid Traditional Name: 3-(4-ethyl-3-keto-2H-quinoxalin-4-ium-2-yl)propionic acid Formula: C13H15N2O3+ MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=CC=CC2=NC(C1=O)CCC(=O)O

Isomeric SMILES

CC[N+]1=C2C=CC=CC2=NC(C1=O)CCC(=O)O

InChI

InChI=1S/C13H14N2O3/c1-2-15-11-6-4-3-5-9(11)14-10(13(15)18)7-8-12(16)17/h3-6,10H,2,7-8H2,1H3/p+1