5-oxidanylidene-5-(pyridin-1-ium-2-ylmethylamino)pentanoate

Systemtic Name: 5-oxidanylidene-5-(pyridin-1-ium-2-ylmethylamino)pentanoate Openeye Name: 5-oxo-5-(pyridin-1-ium-2-ylmethylamino)pentanoate CAS Name: 5-oxo-5-(2-pyridin-1-iumylmethylamino)pentanoate IUPAC Name: 5-oxo-5-(pyridin-1-ium-2-ylmethylamino)pentanoate Traditional Name: 5-keto-5-(pyridin-1-ium-2-ylmethylamino)valerate Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3/c14-10(5-3-6-11(15)16)13-8-9-4-1-2-7-12-9/h1-2,4,7H,3,5-6,8H2,(H,13,14)(H,15,16)