4-oxidanylidene-4-(pyridin-1-ium-2-ylmethylamino)butanoate

Systemtic Name: 4-oxidanylidene-4-(pyridin-1-ium-2-ylmethylamino)butanoate Openeye Name: 4-oxo-4-(pyridin-1-ium-2-ylmethylamino)butanoate CAS Name: 4-oxo-4-(2-pyridin-1-iumylmethylamino)butanoate IUPAC Name: 4-oxo-4-(pyridin-1-ium-2-ylmethylamino)butanoate Traditional Name: 4-keto-4-(pyridin-1-ium-2-ylmethylamino)butyrate Formula: C10H12N2O3 MolecularWeight: 208.21388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C10H12N2O3/c13-9(4-5-10(14)15)12-7-8-3-1-2-6-11-8/h1-3,6H,4-5,7H2,(H,12,13)(H,14,15)