(2S)-3-methyl-2-(4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)butanoic acid

Systemtic Name: (2S)-3-methyl-2-(4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)butanoic acid Openeye Name: (2S)-3-methyl-2-(4-oxo-4aH-quinazolin-3-ium-3-yl)butanoic acid CAS Name: (2S)-3-methyl-2-(4-oxo-4aH-quinazolin-3-ium-3-yl)butanoic acid IUPAC Name: (2S)-3-methyl-2-(4-oxo-4aH-quinazolin-3-ium-3-yl)butanoic acid Traditional Name: (2S)-2-(4-keto-4aH-quinazolin-3-ium-3-yl)-3-methyl-butyric acid Formula: C13H15N2O3+ MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)[N+]1=CN=C2C=CC=CC2C1=O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)[N+]1=CN=C2C=CC=CC2C1=O

InChI

InChI=1S/C13H14N2O3/c1-8(2)11(13(17)18)15-7-14-10-6-4-3-5-9(10)12(15)16/h3-9,11H,1-2H3/p+1/t9?,11-/m0/s1