5-oxidanylidene-5-(pyridin-1-ium-4-ylmethylamino)pentanoate

Systemtic Name: 5-oxidanylidene-5-(pyridin-1-ium-4-ylmethylamino)pentanoate Openeye Name: 5-oxo-5-(pyridin-1-ium-4-ylmethylamino)pentanoate CAS Name: 5-oxo-5-(4-pyridin-1-iumylmethylamino)pentanoate IUPAC Name: 5-oxo-5-(pyridin-1-ium-4-ylmethylamino)pentanoate Traditional Name: 5-keto-5-(pyridin-1-ium-4-ylmethylamino)valerate Formula: C11H14N2O3 MolecularWeight: 222.24046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1CNC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=C[NH+]=CC=C1CNC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C11H14N2O3/c14-10(2-1-3-11(15)16)13-8-9-4-6-12-7-5-9/h4-7H,1-3,8H2,(H,13,14)(H,15,16)