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

Systemtic Name: 3-[3-oxidanylidene-4-(phenylmethyl)-2H-quinoxalin-4-ium-2-yl]propanoic acid Openeye Name: 3-(4-benzyl-3-oxo-2H-quinoxalin-4-ium-2-yl)propanoic acid CAS Name: 3-[3-oxo-4-(phenylmethyl)-2H-quinoxalin-4-ium-2-yl]propanoic acid IUPAC Name: 3-(4-benzyl-3-oxo-2H-quinoxalin-4-ium-2-yl)propanoic acid Traditional Name: 3-(4-benzyl-3-keto-2H-quinoxalin-4-ium-2-yl)propionic acid Formula: C18H17N2O3+ MolecularWeight: 309.33918

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3/c21-17(22)11-10-15-18(23)20(12-13-6-2-1-3-7-13)16-9-5-4-8-14(16)19-15/h1-9,15H,10-12H2/p+1