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

Systemtic Name: 3-[4-(2-methylpropyl)-3-oxidanylidene-2H-quinoxalin-4-ium-2-yl]propanoic acid Openeye Name: 3-(4-isobutyl-3-oxo-2H-quinoxalin-4-ium-2-yl)propanoic acid CAS Name: 3-[4-(2-methylpropyl)-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid IUPAC Name: 3-[4-(2-methylpropyl)-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid Traditional Name: 3-(4-isobutyl-3-keto-2H-quinoxalin-4-ium-2-yl)propionic acid Formula: C15H19N2O3+ MolecularWeight: 275.32296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c1-10(2)9-17-13-6-4-3-5-11(13)16-12(15(17)20)7-8-14(18)19/h3-6,10,12H,7-9H2,1-2H3/p+1