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

Systemtic Name: 3-(3-oxidanylidene-4-propyl-2H-quinoxalin-4-ium-2-yl)propanoic acid Openeye Name: 3-(3-oxo-4-propyl-2H-quinoxalin-4-ium-2-yl)propanoic acid CAS Name: 3-(3-oxo-4-propyl-2H-quinoxalin-4-ium-2-yl)propanoic acid IUPAC Name: 3-(3-oxo-4-propyl-2H-quinoxalin-4-ium-2-yl)propanoic acid Traditional Name: 3-(3-keto-4-propyl-2H-quinoxalin-4-ium-2-yl)propionic acid Formula: C14H17N2O3+ MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-2-9-16-12-6-4-3-5-10(12)15-11(14(16)19)7-8-13(17)18/h3-6,11H,2,7-9H2,1H3/p+1