2-(3,4-dihydropyridin-3-yl)ethanoate; sulfuric acid

Systemtic Name: 2-(3,4-dihydropyridin-3-yl)ethanoate; sulfuric acid Openeye Name: 2-(3,4-dihydropyridin-3-yl)acetate; sulfuric acid CAS Name: 2-(3,4-dihydropyridin-3-yl)acetate; sulfuric acid IUPAC Name: 2-(3,4-dihydropyridin-3-yl)acetate; sulfuric acid Traditional Name: 2-(3,4-dihydropyridin-3-yl)acetate; sulfuric acid Formula: C7H10NO6S- MolecularWeight: 236.2224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CN=CC1CC(=O)[O-].OS(=O)(=O)O

Isomeric SMILES

C1C=CN=CC1CC(=O)[O-].OS(=O)(=O)O

InChI

InChI=1S/C7H9NO2.H2O4S/c9-7(10)4-6-2-1-3-8-5-6;1-5(2,3)4/h1,3,5-6H,2,4H2,(H,9,10);(H2,1,2,3,4)/p-1