(2R)-2-(4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)propanoic acid

Systemtic Name: (2R)-2-(4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)propanoic acid Openeye Name: (2R)-2-(4-oxo-4aH-quinazolin-3-ium-3-yl)propanoic acid CAS Name: (2R)-2-(4-oxo-4aH-quinazolin-3-ium-3-yl)propanoic acid IUPAC Name: (2R)-2-(4-oxo-4aH-quinazolin-3-ium-3-yl)propanoic acid Traditional Name: (2R)-2-(4-keto-4aH-quinazolin-3-ium-3-yl)propionic acid Formula: C11H11N2O3+ MolecularWeight: 219.21664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-8H,1H3/p+1/t7-,8?/m1/s1