5-oxidanylidene-5-(pyridin-1-ium-3-ylamino)pentanoate

Systemtic Name: 5-oxidanylidene-5-(pyridin-1-ium-3-ylamino)pentanoate Openeye Name: 5-oxo-5-(pyridin-1-ium-3-ylamino)pentanoate CAS Name: 5-oxo-5-(3-pyridin-1-iumylamino)pentanoate IUPAC Name: 5-oxo-5-(pyridin-1-ium-3-ylamino)pentanoate Traditional Name: 5-keto-5-(pyridin-1-ium-3-ylamino)valerate Formula: C10H12N2O3 MolecularWeight: 208.21388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C10H12N2O3/c13-9(4-1-5-10(14)15)12-8-3-2-6-11-7-8/h2-3,6-7H,1,4-5H2,(H,12,13)(H,14,15)